SCHEMBL2589952

SCHEMBL2589952

CCCCCCC(SCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
PPARG P37231 7/20 0.51
ALOX5 P09917 5/20 0.51
PTGES O14684 4/20 0.51
CNR2 P34972 1/20 0.48
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47
CYP2C19 P33261 2/20 0.46
CSNK1E P49674 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 3/20 0.45
PPARD Q03181 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1585161 1.00 HSD17B10 (0.53) HSD17B10PPARGALOX5PTGESCNR2
SCHEMBL3875190 0.94 HSD17B10 (0.59) HSD17B10PPARGALOX5PTGESCNR2
SCHEMBL31591746 0.88 EPHX1 (0.60) HSD17B10PPARGALOX5PTGESCNR2
SCHEMBL11770018 0.87 CYP2C19 (0.50) HSD17B10PPARGALOX5PTGESEPHX1
SCHEMBL1858556 0.83 GRIK1 (0.49) HSD17B10PPARGALOX5PTGESPPARA
SCHEMBL4803842 0.82 HSD17B10 (0.50) HSD17B10PPARGALOX5PTGESEPHX1
SCHEMBL22612314 0.81 MAPT (0.50) HSD17B10PPARGCYP2C19PPARAALDH1A1
SCHEMBL9107156 0.81 CNR2 (0.47) PPARGALOX5PTGESCNR2CSNK1E
SCHEMBL7050743 0.80 POLB (0.51) PPARGALOX5PTGESCYP2C19PPARA
SCHEMBL39018 0.80 ESR1 (0.42) HSD17B10PPARGALOX5PTGESEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751199-A Mitochondrial protease targeted chimera, preparation method and application 中国科学院基础医学与肿瘤研究所(筹) 2023-09-15 CN claimed
EP-3962917-A1 METHOD FOR THE MANUFACTURE OF ALKOXYSILYL-CONTAINING THIOCARBOXYLIC ACID ESTERS Momentive Performance Materials Inc. (US) 2022-03-09 EP claimed
EP-3941453-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING LYMPHOMA USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID Rafael Pharmaceuticals, Inc. (US) 2022-01-26 EP claimed
CN-113795499-A Process for producing alkoxysilyl group-containing thiocarboxylic ester 迈图高新材料公司 2021-12-14 CN claimed
EP-3897606-A1 ORAL THERAPY USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID Rafael Pharmaceuticals, Inc. (US) 2021-10-27 EP claimed
CN-112469405-A Therapeutic methods and compositions for treating pancreatic cancer using 6, 8-bis (benzylthio) octanoic acid 拉斐尔制药股份有限公司 2021-03-09 CN claimed
EP-3781148-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING PROSTATE CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID Rafael Pharmaceuticals, Inc. (US) 2021-02-24 EP claimed
US-10919920-B2 Method for the manufacture of alkoxysilyl-containing thiocarboxylic acid esters MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2021-02-16 US claimed
WO-2020223068-A1 METHOD FOR THE MANUFACTURE OF ALKOXYSILYL-CONTAINING THIOCARBOXYLIC ACID ESTERS MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2020-11-05 WO claimed
US-20200347084-A1 METHOD FOR THE MANUFACTURE OF ALKOXYSILYL-CONTAINING THIOCARBOXYLIC ACID ESTERS MOMENTIVE PERFORMANCE MATERIALS INC. 2020-11-05 US claimed
WO-2020191144-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING LYMPHOMA USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2020-09-24 WO claimed
WO-2020132401-A1 ORAL THERAPY USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2020-06-25 WO claimed
WO-2019204251-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING PROSTATE CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2019-10-24 WO claimed
WO-2011143590-A1 COMBINATION THERAPY COMPOSITIONS AND METHODS USING LIPOIC ACID DERIVATIVES AND AN ANTI-PROLIFERATION AGENT CORNERSTONE PHARMACEUTICALS, INC. (US) 2011-11-17 WO claimed
CN-116751199-A Mitochondrial protease targeted chimera, preparation method and application 中国科学院基础医学与肿瘤研究所(筹) 2023-09-15 CN disclosed
CN-116710072-A Therapeutic methods and compositions for treating biliary tract cancers using Devista 基石制药股份有限公司 2023-09-05 CN disclosed
CN-116669731-A Therapeutic methods and compositions for treating pancreatic cancer using Devista 基石制药股份有限公司 2023-08-29 CN disclosed
CN-103044437-A Amphiphilic conjugate nano-particle for treating tumors, as well as preparation method and application of same UNIV SHANGHAI JIAOTONG 2013-04-17 CN disclosed
WO-2011143590-A1 COMBINATION THERAPY COMPOSITIONS AND METHODS USING LIPOIC ACID DERIVATIVES AND AN ANTI-PROLIFERATION AGENT CORNERSTONE PHARMACEUTICALS, INC. (US) 2011-11-17 WO disclosed
WO-2011143593-A1 CONJUGATES OF A LIPOIC ACID DERIVATIVE AND ANTI-PROLIFERATION AGENT AND MEDICAL USES THEREOF CORNERSTONE PHARMACEUTICALS, INC. (US) 2011-11-17 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 (2 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-10919920-B2 Method for the manufacture of alkoxysilyl-containing thiocarboxylic acid esters TST, MPST, APEH HSD17B10 323/4885PPARG 3549/4885ALOX5 555/4885
US-20200347084-A1 METHOD FOR THE MANUFACTURE OF ALKOXYSILYL-CONTAINING THIOCARBOXYLIC ACID ESTERS TST, MPST, APEH HSD17B10 323/4885PPARG 3549/4885ALOX5 555/4885

“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.