SCHEMBL5656647

SCHEMBL5656647

CC1(C)COc2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
RARA P10276 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RXRA P19793 1/20 0.39
MGAT2 Q10469 1/20 0.35
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
RAB9A P51151 1/20 0.31
DAO P14920 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
ACACB O00763 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5657117 0.85 NOTUM (0.45) NOTUMRARBRARGRARAPTGS1
SCHEMBL5656855 0.84 RARB (0.45) NOTUMRARBRARGRARAPTGS1
SCHEMBL5654523 0.81 NOTUM (0.42) NOTUMRARBRARGRARAPTGS1
SCHEMBL9617566 0.80 GAA (0.47) NOTUMRARBRARGRARAPTGS1
SCHEMBL9617620 0.79 PTGS1 (0.41) NOTUMRARBRARGRARAPTGS1
SCHEMBL4611622 0.79 PKM (0.41) NPC1PKMPKLRRAB9AHTT
SCHEMBL23554960 0.76 PKM (0.55) MGAT2PKMCYP26A1CYP26B1HTT
SCHEMBL2434643 0.75 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL1022290 0.73 CYP26B1 (0.50) RARBRARGRARARXRACYP26A1
SCHEMBL16178941 0.72 AKR1B1 (0.45) NOTUMRARBRARGRARAPTGS1

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-20240279207-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2024-08-22 US disclosed
US-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2023150525-A1 COMPETITIVE AND NONCOMPETITIVE PIPERIDINE SULFONYL INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2023-08-10 WO disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
US-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 US disclosed
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A NOTUM 4635/4885RARB 486/4885RARG 839/4885
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 NOTUM 1917/4885RARB 3268/4885RARG 1834/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 NOTUM 700/4885RARB 352/4885RARG 319/4885
US-20240279207-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER KAT6A, KAT6B, KAT2A NOTUM 862/4885RARB 761/4885RARG 1208/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 NOTUM 991/4885RARB 353/4885RARG 389/4885
US-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 NOTUM 2050/4885RARB 3297/4885RARG 3457/4885

“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.