SCHEMBL8309337

SCHEMBL8309337

O=C(O)CCSC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.52
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KMT2A Q03164 3/20 0.47
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
KEAP1 Q14145 1/20 0.43
GPR139 Q6DWJ6 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
SCHEMBL8308737 0.88 ALDH1A1 (0.56) NR4A2CYP2C19ALDH1A1GAAHDAC3
SCHEMBL16047247 0.87 KMT2A (0.52) CYP2C19ALDH1A1GAAKMT2APTPN1
SCHEMBL18244312 0.86 MAPT (0.55) NR4A2CYP2C19ALDH1A1GAAHDAC3
SCHEMBL12154245 0.84 KMT2A (0.48) NR4A2ALDH1A1KMT2APTPN1GSK3B
SCHEMBL7290449 0.84 KMT2A (0.45) NR4A2CYP2C19ALDH1A1KMT2APTPN1
SCHEMBL7909243 0.83 KMT2A (0.49) CYP2C19ALDH1A1KMT2APTPN1GSK3B
SCHEMBL31131464 0.83 KMT2A (0.49) CYP2C19ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL8308131 0.82 TSHR (0.57) ALDH1A1KMT2APTPN1TSHRL3MBTL1
SCHEMBL18243769 0.81 KMT2A (0.46) CYP2C19ALDH1A1GAAHDAC3HDAC4
SCHEMBL10952894 0.81 GSK3B (0.50) CYP2C19ALDH1A1GAAKMT2APTPN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55118456-A None JP disclosed
US-8241829-B2 Resist polymer, resist composition, process for pattern formation, and starting compounds for production of the resist polymer MITSUBISHI RAYON CO., LTD. (JP) 2012-08-14 US disclosed
US-8241829-B2 Resist polymer, resist composition, process for pattern formation, and starting compounds for production of the resist polymer MITSUBISHI RAYON CO., LTD. (JP) 2012-08-14 US disclosed
US-8049042-B2 Resist polymer, resist composition, process for pattern formation, and starting compounds for production of the resist polymer MITSUBISHI RAYON CO., LTD. (JP) 2011-11-01 US disclosed
US-8049042-B2 Resist polymer, resist composition, process for pattern formation, and starting compounds for production of the resist polymer MITSUBISHI RAYON CO., LTD. (JP) 2011-11-01 US disclosed
US-20110144295-A1 RESIST POLYMER, RESIST COMPOSITION, PROCESS FOR PATTERN FORMATION, AND STARTING COMPOUNDS FOR PRODUCTION OF THE RESIST POLYMER MITSUBISHI RAYON CO., LTD. (JP) 2011-06-16 US disclosed
US-20110144295-A1 RESIST POLYMER, RESIST COMPOSITION, PROCESS FOR PATTERN FORMATION, AND STARTING COMPOUNDS FOR PRODUCTION OF THE RESIST POLYMER MITSUBISHI RAYON CO., LTD. (JP) 2011-06-16 US disclosed
US-20090198065-A1 RESIST POLYMER, RESIST COMPOSITION, PROCESS FOR PATTERN FORMATION, AND STARTING COMPOUNDS FOR PRODUCTION OF THE RESIST POLYMER MITSUBISHI RAYON CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198065-A1 RESIST POLYMER, RESIST COMPOSITION, PROCESS FOR PATTERN FORMATION, AND STARTING COMPOUNDS FOR PRODUCTION OF THE RESIST POLYMER MITSUBISHI RAYON CO., LTD. (JP) 2009-08-06 US disclosed
US-20070190449-A1 Resist polymer, resist composition, process for pattern formation, and starting compounds for production of the resist polymer MITSUBISHI RAYON CO., LTD. (JP) 2007-08-16 US disclosed
US-20070190449-A1 Resist polymer, resist composition, process for pattern formation, and starting compounds for production of the resist polymer MITSUBISHI RAYON CO., LTD. (JP) 2007-08-16 US disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
US-5330737-A Nitrogen-sulfur ligands as opiate receptor drug mimics MALLINCKRODT MEDICAL, INC. (US) 1994-07-19 US disclosed
US-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 US disclosed
US-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US disclosed
EP-0012845-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 EP disclosed
US-4256751-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1981-03-17 US disclosed
JP-S55118456-A METHOD OF COLLECTING OPTICALLY ACTIVE D-ALPHA-METHYL-BETA- BENZOYL-THIOPROPIONIC ACID SUMITOMO CHEM CO LTD 1980-09-11 JP disclosed
EP-0012845-A1 Tetrahydroisoquinoline compounds, process for preparing same and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-07-09 EP disclosed
US-4186268-A Mercaptoacylpyrrolidine phosphonic acids and related compounds E. R. SQUIBB & SONS, INC. (US) 1980-01-29 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 (1 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-20090198065-A1 RESIST POLYMER, RESIST COMPOSITION, PROCESS FOR PATTERN FORMATION, AND STARTING COMPOUNDS FOR PRODUCTION OF THE RESIST POLYMER CHRM1, CHRM2, PKN2 NR4A2 986/4885CYP2C19 2460/4885ALDH1A1 3349/4885

“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.