SCHEMBL189284

SCHEMBL189284

CC(C)Oc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
CA2 P00918 11/20 0.57
CA9 Q16790 10/20 0.57
CA1 P00915 9/20 0.57
CA12 O43570 8/20 0.57
CA7 P43166 7/20 0.55
SOS1 Q07889 2/20 0.52
TSHR P16473 1/20 0.52
CA5A P35218 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
CA4 P22748 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
PTGS2 P35354 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
ALDH1A3 P47895 1/20 0.48

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
SCHEMBL13607576 0.84 ALDH1A1 (0.55) ALDH1A1HTTCA2CA9CA1
SCHEMBL28885465 0.83 CA2 (0.61) CA2CA1
SCHEMBL930312 0.83 PKM (0.58) HTTFFAR4PARP10ALDH1A3
SCHEMBL9923581 0.81 CA2 (0.58) ALDH1A1HTTCA2CA9CA1
SCHEMBL21556105 0.81 CA2 (0.58) ALDH1A1HTTCA2CA9CA1
SCHEMBL21556165 0.81 CA2 (0.58) ALDH1A1HTTCA2CA9CA1
SCHEMBL9034923 0.81 PTGS2 (0.55) PTGS2FFAR4PARP10ALDH1A3
SCHEMBL14149483 0.81 LMNA (0.56) ALDH1A1HTTCA2CA9CA1
SCHEMBL28617029 0.80 CA2 (0.62) ALDH1A1HTTCA2CA9CA1
SCHEMBL13588841 0.79 FFAR4 (0.50) ALDH1A1CA2CA9CA1CA12

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219808-A Multifunctional ionic polymer, preparation method and application thereof, and ion exchange membrane 佛山绿动氢能科技有限公司 2024-12-31 CN disclosed
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-26 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
EP-3018123-B1 AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-05-10 EP disclosed
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2022-12-22 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
US-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
EP-3277286-B1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2021-04-21 EP disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP disclosed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO 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 (6 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-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 ALDH1A1 2488/4885HTT 2576/4885CA2 1361/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ALDH1A1 2834/4885HTT 2375/4885CA2 3111/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885HTT 1996/4885CA2 1738/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885HTT 3921/4885CA2 3786/4885
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 ALDH1A1 2488/4885HTT 2576/4885CA2 1361/4885
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action RORB, RORC, RORA ALDH1A1 232/4885HTT 3568/4885CA2 385/4885

“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.