SCHEMBL5962402

SCHEMBL5962402

CC(C)(C)Sc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HSD17B10 Q99714 4/20 0.63
FBP1 P09467 3/20 0.63
HPGD P15428 2/20 0.63
ADRA2A P08913 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
DRD2 P14416 1/20 0.63
ALOX15 P16050 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63
MC5R P33032 1/20 0.63
OPRM1 P35372 1/20 0.63
DRD3 P35462 1/20 0.63
OPRK1 P41145 1/20 0.63
CCR2 P41597 1/20 0.63
HTR6 P50406 1/20 0.63
SLC6A3 Q01959 1/20 0.63
PDK1 Q15118 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL10351098 0.84 ALDH1A1 (0.72) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL5466260 0.83 ALDH1A1 (0.66) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL14330846 0.83 FBP1 (0.58) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL10448504 0.83 FBP1 (0.58) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL29278086 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL31333060 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL22195409 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL23894553 0.80 FBP1 (0.55) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL6576658 0.80 PPARA (0.67) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL23894549 0.79 ALDH1A1 (0.51) ALDH1A1HSD17B10FBP1HPGDADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230383082-A1 RUBBER FOAM COMPOSITION, FOAM AND MOLDED ARTICLE DENKA COMPANY LIMITED (JP) 2023-11-30 US disclosed
US-20230383082-A1 RUBBER FOAM COMPOSITION, FOAM AND MOLDED ARTICLE DENKA COMPANY LIMITED (JP) 2023-11-30 US disclosed
US-20230131867-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF SLOAN KETTERING INST CANCER RES (US) 2023-04-27 US disclosed
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed
US-20210395210-A1 INHIBITION OF BACTERIAL CHAPERONIN SYSTEMS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2021-12-23 US disclosed
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-03-16 US disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2019-07-11 US disclosed
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis ABEL-SANTOS ERNESTO (US) 2018-01-04 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-7410745-B2 Photothermographic material and image forming method using same FUJIFILM CORPORATION (JP) 2008-08-12 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
EP-0036832-B1 VULCANIZATION OF RUBBER WITH 2-(ALKYLSULFINYL)-BENZOTHIAZOLES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-06-18 EP disclosed
US-4350818-A CATALYTIC ALKYLATION OF 2-MERCAPTOBENXOTHIAZOLE FOLLOWED BY OXIDATION WITH HYPOCHLORITE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-09-21 US disclosed
EP-0036832-A1 Vulcanization of rubber with 2-(alkylsulfinyl)-benzothiazoles THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-09-30 EP disclosed
US-4280967-A Vulcanization of rubber with 2-(alkylsulfinyl)-benzothiazoles THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-07-28 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 (11 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-20210395210-A1 INHIBITION OF BACTERIAL CHAPERONIN SYSTEMS HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2932/4885HSD17B10 1242/4885FBP1 2054/4885
US-10945996-B2 Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis CASP3, SI, PYCARD ALDH1A1 4772/4885HSD17B10 2302/4885FBP1 776/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 ALDH1A1 786/4885HSD17B10 410/4885FBP1 1813/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 ALDH1A1 320/4885HSD17B10 318/4885FBP1 1567/4885
US-20230131867-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 ALDH1A1 4604/4885HSD17B10 1813/4885FBP1 2358/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 ALDH1A1 682/4885HSD17B10 892/4885FBP1 78/4885
US-20190209531-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD ALDH1A1 4772/4885HSD17B10 2302/4885FBP1 776/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY ALDH1A1 143/4885HSD17B10 567/4885FBP1 3728/4885
US-20180000793-A1 Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis CASP3, SI, PYCARD ALDH1A1 4772/4885HSD17B10 2302/4885FBP1 776/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 ALDH1A1 750/4885HSD17B10 877/4885FBP1 128/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885HSD17B10 279/4885FBP1 3342/4885

“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.