SCHEMBL7476503

SCHEMBL7476503

CC(C)c1csc2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.59
CMA1 P23946 10/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
CTSG P08311 1/20 0.45
PRSS3 P35030 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL28755067 0.86 CYP2A6 (0.56) CYP2A6CMA1PRSS1PRSS2CTSG
SCHEMBL14338948 0.81 CYP2A6 (0.55) CYP2A6CMA1PRSS1PRSS2CTSG
SCHEMBL20769662 0.80 KEAP1 (0.52) CYP2A6CMA1PRSS1PRSS2CTSG
SCHEMBL16807809 0.79 LMNA (0.42) CYP2A6CA2
SCHEMBL15912347 0.79 FFAR1 (0.37) CYP2A6CMA1SMN1; SMN2
SCHEMBL11346193 0.78 CYP2A6 (0.47) CYP2A6CMA1PRSS1PRSS2CTSG
SCHEMBL13197120 0.78 CYP2A6 (0.50) CYP2A6CMA1SMN1; SMN2CA2
SCHEMBL20769676 0.75 KEAP1 (0.50) CYP2A6CMA1PRSS1PRSS2CTSG
SCHEMBL167540 0.75 CYP2A6 (1.00) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL8340466 0.74 CYP2A6 (0.47) CYP2A6CMA1PRSS1PRSS2CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 US disclosed
US-11066414-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-07-20 US disclosed
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-03-04 US disclosed
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 US disclosed
US-20200123172-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-04-23 US disclosed
US-20190248807-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2019-08-15 US disclosed
US-9878995-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 US disclosed
WO-2008153701-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-12-18 WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 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 (13 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-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 CYP2A6 2393/4885CMA1 4501/4885PRSS1 504/4885
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20200123172-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CYP2A6 695/4885CMA1 4399/4885PRSS1 3508/4885
US-20190248807-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-11066414-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-20210061831-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS CYP2A6 3831/4885CMA1 4661/4885PRSS1 4589/4885

“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.