SCHEMBL15218552

SCHEMBL15218552

Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c[n+]([O-])ccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 1/20 0.42
▸ CCR9 P51686 7/20 0.41
▸ GLO1 Q04760 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ UQCRB P14927 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38

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
SCHEMBL15243799 0.90 ALDH1A1 (0.47) ALDH1A1POLBCCR9GLO1KDM4E
SCHEMBL15218513 0.84 ALDH1A1 (0.48) ALDH1A1POLBCCR9GLO1KDM4E
SCHEMBL15218527 0.84 ALDH1A1 (0.46) ALDH1A1POLBCCR9GLO1KDM4E
SCHEMBL15220235 0.83 ALDH1A1 (0.45) ALDH1A1POLBCCR9KDM4ELMNA
SCHEMBL15218525 0.82 ALDH1A1 (0.50) ALDH1A1POLBCCR9GLO1KDM4E
SCHEMBL15218553 0.81 PSD (0.52) ALDH1A1POLBCCR9KDM4ELMNA
SCHEMBL17663439 0.80 ALDH1A1 (0.44) ALDH1A1POLBCCR9KDM4ELMNA
SCHEMBL15220245 0.80 ALDH1A1 (0.44) ALDH1A1POLBCCR9KDM4ELMNA
SCHEMBL15218514 0.80 ALDH1A1 (0.48) ALDH1A1POLBCCR9GLO1KDM4E
SCHEMBL15209654 0.80 ALDH1A1 (0.50) ALDH1A1POLBCCR9GLO1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CHEMOCENTRYX INC (US) 2020-06-25 — — US disclosed
US-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2020-03-24 — — 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
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 (4 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-20130225580-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 ALDH1A1 1144/4885POLB 3503/4885CCR9 1/4885
US-10596163-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR9, CCR1, CCR3 ALDH1A1 1144/4885POLB 3503/4885CCR9 1/4885
US-20150073017-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 ALDH1A1 1144/4885POLB 3503/4885CCR9 1/4885
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CCR9, CCR1, CCR3 ALDH1A1 1216/4885POLB 3719/4885CCR9 1/4885

“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.

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