SCHEMBL15218510

SCHEMBL15218510

Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
POLB P06746 1/20 0.58
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 2/20 0.46
CYP2D6 P10635 1/20 0.46
HSD17B2 P37059 2/20 0.46
HSD11B1 P28845 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15218517 0.87 ALDH1A1 (0.52) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218518 0.87 ALDH1A1 (0.52) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218500 0.83 ALDH1A1 (0.52) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218507 0.83 ALDH1A1 (0.52) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218532 0.79 ALDH1A1 (0.50) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15209654 0.79 ALDH1A1 (0.50) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218539 0.79 ALDH1A1 (0.49) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218548 0.78 ALDH1A1 (0.54) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218513 0.78 ALDH1A1 (0.48) ALDH1A1POLBKDM4ESMN1; SMN2HTT
SCHEMBL15218499 0.76 ALDH1A1 (0.51) ALDH1A1POLBKDM4ESMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322410-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CHEMOCENTRYX INC (US) 2021-10-21 US disclosed
US-20210308119-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING CCR9 INHIBITOR AND ANTI-IL-23 BLOCKING ANTIBODIES CHEMOCENTRYX, INC. 2021-10-07 US disclosed
WO-2021202731-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING CCR9 INHIBITOR AND ANTI-IL-23 BLOCKING ANTIBODIES CHEMOCENTRYX, INC. (US) 2021-10-07 WO disclosed
US-11045469-B2 Compositions and methods for treating inflammatory bowel disease using a combination therapy of small molecule inhibitors of C-C chemokine receptor type 9 (CCR9) and anti-α4β7 integrin blocking antibodies CHEMOCENTRYX, INC. (US) 2021-06-29 US disclosed
US-11020394-B2 Compositions and methods for treating inflammatory bowel disease using a combination therapy of small molecule inhibitors of C—C chemokine receptor type 9 (CCR9) and anti-α4β7 integrin blocking antibodies CHEMOCENTRYX, INC. (US) 2021-06-01 US disclosed
EP-3738958-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS ChemoCentryx, Inc. (US) 2020-11-18 EP disclosed
US-20200268751-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CHEMOCENTRYX INC (US) 2020-08-27 US disclosed
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CHEMOCENTRYX INC (US) 2020-06-25 US disclosed
US-20200113898-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CHEMOCENTRYX, INC. 2020-04-16 US disclosed
US-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2020-03-24 US disclosed
WO-2016057424-A1 COMBINATION THERAPY OF INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CHEMOCENTRYX, INC. (US) 2016-04-14 WO disclosed
US-20160095921-A1 Combinations and Methods for Treating Inflammatory Bowel Disease Using a Combination Therapy of Small Molecule Inhibitors of C-C Chemokine Receptor 9 (CCR9) and Anti-alpha4beta7 Integrin Blocking Antibodies CHEMOCENTRYX, INC. 2016-04-07 US disclosed
US-20160095921-A1 Combinations and Methods for Treating Inflammatory Bowel Disease Using a Combination Therapy of Small Molecule Inhibitors of C-C Chemokine Receptor 9 (CCR9) and Anti-alpha4beta7 Integrin Blocking Antibodies CHEMOCENTRYX, INC. 2016-04-07 US disclosed
US-20150073017-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-12 US disclosed
US-8916601-B2 Aza-aryl 1H-pyrazol-1-YL benzene sulfonamides CHEMOCENTRYX, INC. (US) 2014-12-23 US disclosed
US-8916601-B2 Aza-aryl 1H-pyrazol-1-YL benzene sulfonamides CHEMOCENTRYX, INC. (US) 2014-12-23 US disclosed
WO-2013130811-A1 PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR9 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2013-09-06 WO disclosed
US-20130225580-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-08-29 US disclosed
US-20130225580-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-08-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11045469-B2 Compositions and methods for treating inflammatory bowel disease using a combination therapy of small molecule inhibitors of C-C chemokine receptor type 9 (CCR9) and anti-α4β7 integrin blocking antibodies CCR9, CCR4, ITGB7 ALDH1A1 2337/4885POLB 1423/4885KDM4E 967/4885
US-20210308119-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING CCR9 INHIBITOR AND ANTI-IL-23 BLOCKING ANTIBODIES CCR9, CCR3, CCR1 ALDH1A1 3025/4885POLB 2346/4885KDM4E 3262/4885
US-20130225580-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 ALDH1A1 1144/4885POLB 3503/4885KDM4E 2015/4885
US-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR9, CCR1, CCR3 ALDH1A1 1144/4885POLB 3503/4885KDM4E 2015/4885
US-20200113898-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CCR9, ITGB7, CCR4 ALDH1A1 2410/4885POLB 1181/4885KDM4E 953/4885
US-20150073017-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 ALDH1A1 1144/4885POLB 3503/4885KDM4E 2015/4885
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CCR9, CCR1, CCR3 ALDH1A1 1216/4885POLB 3719/4885KDM4E 1990/4885
US-20160095921-A1 Combinations and Methods for Treating Inflammatory Bowel Disease Using a Combination Therapy of Small Molecule Inhibitors of C-C Chemokine Receptor 9 (CCR9) and Anti-alpha4beta7 Integrin Blocking Antibodies CCR9, CCR4, ITGB7 ALDH1A1 2024/4885POLB 1173/4885KDM4E 921/4885
US-11020394-B2 Compositions and methods for treating inflammatory bowel disease using a combination therapy of small molecule inhibitors of C—C chemokine receptor type 9 (CCR9) and anti-α4β7 integrin blocking antibodies CCR9, CCR4, ITGB7 ALDH1A1 2292/4885POLB 1427/4885KDM4E 978/4885
US-20210322410-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CCR9, ITGB7, CCR4 ALDH1A1 2410/4885POLB 1181/4885KDM4E 953/4885
US-20200268751-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE USING A COMBINATION THERAPY OF SMALL MOLECULE INHIBITORS OF C-C CHEMOKINE RECEPTOR TYPE 9 (CCR9) AND ANTI-ALPHA4BETA7 INTEGRIN BLOCKING ANTIBODIES CCR9, ITGB7, CCR4 ALDH1A1 2410/4885POLB 1181/4885KDM4E 953/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.