SCHEMBL7567228

SCHEMBL7567228

COC(=O)C1SCCCS1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL1557407 0.90
SCHEMBL14564996 0.76 CHRNB2 (0.33) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL9845842 0.76 FAAH (0.42) FAAHTSHR
SCHEMBL12192736 0.76 FAAH (0.35) FAAHCHRM2CHRM3
SCHEMBL7434899 0.73
SCHEMBL17104768 0.73 PPM1B (0.40) FAAHKDM4EALDH1A1PPM1BPTPN1
SCHEMBL844037 0.72
SCHEMBL15106194 0.71 NOS2 (0.38) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL12138161 0.70 ALDH1A1 (0.44) SMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL10650740 0.70 TDP1 (0.37) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP claimed
EP-0746551-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-12-11 EP claimed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO claimed
US-5399721-A Anticoagulant; prepared from aldehyde THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-03-21 US claimed
EP-0054971-A1 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid, process for preparing and pharmaceutical compositions comprising the same MERCK & CO. INC. (US) 1982-06-30 EP claimed
US-4321197-A 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid and preparation thereof MERCK & CO., INC. (US) 1982-03-23 US claimed
US-9758688-B2 Composition for forming conductive film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-9169260-B2 Amidopyrazole inhibitors of interleukin receptor-associated kinases MERCK SHARP & DOHME CORP. (US) 2015-10-27 US disclosed
US-20150275015-A1 COMPOSITION FOR FORMING CONDUCTIVE FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-01 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
US-20140194404-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES MERCK SHARP & DOHME LLC 2014-07-10 US disclosed
EP-2688872-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES Merck Sharp & Dohme Corp. (US) 2014-01-29 EP disclosed
US-5399721-A Anticoagulant; prepared from aldehyde THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-03-21 US disclosed
EP-0296374-B1 GLYCOSYLATED AMINOACIDS AND PEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-07 EP disclosed
WO-1991002741-A1 SUGAR ALCOHOL DERIVATIVES, A PROCESS FOR PREPARING 3-DEOXY-2-OCTULOSONIC ACID AND 3-DEOXY-2-HEPTULOSONIC ACID COMPOUNDS AND DERIVATIVES RIJKSUNIVERSITEIT TE LEIDEN (NL) 1991-03-07 WO disclosed
EP-0296374-A2 Glycosylated aminoacids and peptides HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-28 EP disclosed
EP-0054971-B1 1-CARBA-6-(1-HYDROXYETHYL)-2-CARBONYL-PENEM-3-CARBOXYLIC ACID, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME MERCK & CO. INC. (US) 1984-07-11 EP disclosed
EP-0054971-A1 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid, process for preparing and pharmaceutical compositions comprising the same MERCK & CO. INC. (US) 1982-06-30 EP disclosed
US-4321197-A 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid and preparation thereof MERCK & CO., INC. (US) 1982-03-23 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 (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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 FAAH 2913/4885CHRM2 4819/4885CHRM4 4817/4885
US-20140194404-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES IRAK4, IRAK3, IRAK1 FAAH 2486/4885CHRM2 4810/4885CHRM4 3266/4885

“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.