SCHEMBL12601239

SCHEMBL12601239

CC(C)(C)CC1SC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
MAOA P21397 2/20 0.47
CISD1 Q9NZ45 2/20 0.47
MAOB P27338 1/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ESR2 Q92731 1/20 0.39
CA2 P00918 1/20 0.39
PPARG P37231 4/20 0.38
FFAR1 O14842 1/20 0.35
PPARA Q07869 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL29337017 0.82 TSHR (0.47) TSHRKDM4EHTTMAOACISD1
SCHEMBL25459923 0.82 TSHR (0.47) TSHRKDM4EHTTMAOACISD1
SCHEMBL15470650 0.82 KDM4E (0.33) TSHRKDM4EHTTMAOACISD1
SCHEMBL25459913 0.80 KDM4E (0.36) TSHRKDM4EHTTMAOACISD1
SCHEMBL16924077 0.76
SCHEMBL264929 0.76
SCHEMBL29337016 0.75 EPHX2 (0.44) TSHRKDM4EHTTMAOACISD1
SCHEMBL22623764 0.72 TSHR (0.53) TSHRKDM4EHTTMAOACISD1
SCHEMBL11169825 0.72 TSHR (0.53) TSHRKDM4EHTTMAOACISD1
SCHEMBL15427287 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 PROMETHEUS BIOSCIENCES, INC. 2023-05-18 US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-9139578-B2 Amide or urea containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-22 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150158856-A1 AMIDE OR UREA CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-06-11 US disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080119407-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY 2008-05-22 US disclosed
US-20080119407-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY 2008-05-22 US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 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 (10 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 TSHR 512/4885KDM4E 1985/4885HTT 4651/4885
US-20150158856-A1 AMIDE OR UREA CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL TSHR 3855/4885KDM4E 558/4885HTT 3876/4885
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 TSHR 2973/4885KDM4E 4001/4885HTT 553/4885
US-20080119407-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 TSHR 178/4885KDM4E 2621/4885HTT 4880/4885
US-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 TSHR 480/4885KDM4E 1938/4885HTT 4719/4885
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR TSHR 8/4885KDM4E 950/4885HTT 3700/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TSHR 387/4885KDM4E 1403/4885HTT 4219/4885
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 GPR35, GPR68, GPR65 TSHR 1743/4885KDM4E 4392/4885HTT 1657/4885
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE TSHR 3677/4885KDM4E 457/4885HTT 4233/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE TSHR 3921/4885KDM4E 164/4885HTT 4167/4885

“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.