SCHEMBL2499199

SCHEMBL2499199

COc1ccc(C(=O)CSc2cccc(OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HDAC6 Q9UBN7 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
HSD11B1 P28845 2/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51

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
SCHEMBL6280282 0.92 MTNR1A (0.51) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL11599893 0.91 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL7455676 0.91 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL8597033 0.91 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL5043303 0.90 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL29766169 0.90 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL5045385 0.90 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL30610971 0.90 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL5685556 0.89 RAB9A (0.53) NPC1RAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL6281255 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132194-A1 PROCESS FOR THE PREPARATION OF RALOXIFENE HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2011-10-27 WO claimed
US-7385087-B2 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2008-06-10 US claimed
EP-1678127-B1 METHOD FOR THE PRODUCTION OF ALPHA-(3-ARYLTHIO)-ACETOPHENONES BASF AG (DE) 2007-07-25 EP claimed
US-20070060776-A1 Method for the production of alpha-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
EP-1603868-B1 METHOD FOR PRODUCING ALPHA-(3-ARYLTHIO)-ACETOPHENONES BASF AG (DE) 2006-09-13 EP claimed
US-20060178537-A1 Method for producing a-(3-arylthio)-acetophenones BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 US claimed
EP-1603868-A1 METHOD FOR PRODUCING a-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP claimed
WO-2004078705-A1 METHOD FOR PRODUCING α-(3-ARYLTHIO)-ACETOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
CN-112174793-B Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound 温州大学 2023-03-28 CN disclosed
CN-112174793-A Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound 温州大学 2021-01-05 CN disclosed
WO-2011132194-A1 PROCESS FOR THE PREPARATION OF RALOXIFENE HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2011-10-27 WO disclosed
WO-2011132194-A1 PROCESS FOR THE PREPARATION OF RALOXIFENE HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2011-10-27 WO disclosed
US-8030330-B2 Benzothiophenes, formulations containing same, and methods ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
US-20100255106-A1 BENZOTHIOPHENES, FORMULATIONS CONTAINING SAME, AND METHODS ARBUTHNOT GORDON NELSON 2010-10-07 US disclosed
US-4380635-A Synthesis of acylated benzothiophenes ELI LILLY AND COMPANY (US) 1983-04-19 US disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 US disclosed
EP-0062503-A1 Benzothiophene compounds and process for preparing them ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
EP-0062505-A1 A process for preparing acylated benzothiophenes ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 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 (3 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-20070060776-A1 Method for the production of alpha-(3-arylthio)-acetophenones CBR3, CYB5R3, ME3 NPC1 3802/4885RAB9A 2474/4885SMN1; SMN2 4359/4885
US-20060178537-A1 Method for producing a-(3-arylthio)-acetophenones ARSA, TST, SULT1A1 NPC1 3888/4885RAB9A 4071/4885SMN1; SMN2 4159/4885
US-20100255106-A1 BENZOTHIOPHENES, FORMULATIONS CONTAINING SAME, AND METHODS BRCA1, CYP19A1, CYP46A1 NPC1 25/4885RAB9A 3416/4885SMN1; SMN2 3033/4885

“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.