SCHEMBL456450

SCHEMBL456450

CSc1ccc(C(=O)CBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.61
PTPN1 P18031 6/20 0.57
HAO1 Q9UJM8 1/20 0.54
PLK1 P53350 1/20 0.52
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
FLI1 Q01543 1/20 0.42
EWSR1 Q01844 1/20 0.42

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
SCHEMBL4468982 0.89 GSK3B (0.59) GSK3BPTPN1HAO1PLK1MMP2
SCHEMBL10415427 0.83 PTPN1 (0.64) GSK3BPTPN1HAO1PLK1
SCHEMBL205280 0.82 GSK3B (0.80) GSK3BPTPN1
SCHEMBL6302968 0.81 HAO1 (0.56) HAO1PLK1MMP2MMP9MMP8
SCHEMBL275400 0.81 HAO1 (0.56) HAO1PLK1MMP2MMP9MMP8
SCHEMBL5107175 0.80 GSK3B (0.57) GSK3BPTPN1TAS1R3TAS1R1
SCHEMBL8536860 0.80 HSD17B3 (0.49) HAO1PLK1MMP2MMP9MMP8
Methylsulfanylmethane SCHEMBL28782225 0.79 GSK3B (0.88) GSK3BPTPN1
SCHEMBL6050822 0.79 GSK3B (0.57) GSK3BHAO1PLK1MMP2MMP9
SCHEMBL9663847 0.79 GSK3B (0.55) GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004053-B1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2021-03-24 EP claimed
US-10112898-B2 Process for the preparation of saroglitazar pharmaceutical salts CADILA HEALTHCARE LIMITED (IN) 2018-10-30 US claimed
US-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2016-07-07 US claimed
US-20160107989-A1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2016-04-21 US claimed
EP-3004053-A2 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES Cadila Healthcare Limited (IN) 2016-04-13 EP claimed
WO-2015033357-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2015-03-12 WO claimed
WO-2014195967-A2 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2014-12-11 WO claimed
US-20040242680-A1 1-[(4-methyl thio)phenyl]-2-(phenyl acetoxy)-1-ethanone and a process for preparing the same SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2004-12-02 US claimed
WO-2003030812-A2 1-[(4-METHYL THIO)PHENYL]-2-(PHENYL ACETOXY)-1-ETHANONE AND A PROCESS FOR PREPARING THE SAME SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2003-04-17 WO claimed
CN-119241405-A Elafibranor synthesis method 武汉九州钰民医药科技有限公司 2025-01-03 CN disclosed
CN-118994063-A Novel method for synthesizing eremophilne intermediate 上海博悦生物科技有限公司 2024-11-22 CN disclosed
CN-116514622-B Method for simply synthesizing alpha-bromomethyl ketone compound 湖南工学院 2024-09-27 CN disclosed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 US disclosed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 US disclosed
EP-0044704-A1 Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1982-01-27 EP disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP disclosed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed
US-4005212-A ANTIDEPRESSANT, ANOREXIGENIC, PSYCHOENERGIZING, 2-PHENYL-2,3,5,6-TETRAHYDROIMIDAZO(2,1-B)THIAZOLE RHONE-POULENC S.A. (FR) 1977-01-25 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 (5 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-20160194280-A1 IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES HPD, HMGCR, CYP51A1 GSK3B 3068/4885PTPN1 501/4885HAO1 799/4885
US-20040242680-A1 1-[(4-methyl thio)phenyl]-2-(phenyl acetoxy)-1-ethanone and a process for preparing the same PTGES2, PTGS2, CYP2J2 GSK3B 4508/4885PTPN1 2091/4885HAO1 36/4885
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 GSK3B 52/4885PTPN1 994/4885HAO1 867/4885
US-20160107989-A1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CYP51A1, DHCR7, LIPA GSK3B 2947/4885PTPN1 1289/4885HAO1 1178/4885
US-10112898-B2 Process for the preparation of saroglitazar pharmaceutical salts DPP4, CYP51A1, TPP1 GSK3B 2020/4885PTPN1 1386/4885HAO1 855/4885

“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.