SCHEMBL2163496

SCHEMBL2163496

Cc1ccc(C([O])=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
CES2 O00748 3/20 0.55
CES1 P23141 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
NTSR1 P30989 1/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
SRD5A2 P31213 1/20 0.46
GSK3B P49841 1/20 0.44

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
SCHEMBL4460667 0.77 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL499513 0.74 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL409672 0.74 ALDH1A1 (0.65) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL5179861 0.74 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1411939 0.74 ALDH1A1 (0.55) ALDH1A1CES2CES1LMNASMN1; SMN2
4-Methylbenzoic Acid SCHEMBL7261856 0.72 ALDH1A1 (0.94) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL16326612 0.72 ALDH1A1 (0.62) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL547749 0.72 ALDH1A1 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL1893113 0.72 ALDH1A1 (0.62) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL202776 0.72 SMN1; SMN2 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
EP-2228376-B1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY KITASATO INST (JP) 2015-06-03 EP disclosed
US-8519128-B2 Pyripyropene derivatives having an ACAT2-inhibiting activity THE KITASATO INSTITUTE (JP) 2013-08-27 US disclosed
US-8318932-B2 Process for producing 4-aminoquinazoline compound UBE INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US disclosed
US-7858807-B2 Method for producing 1-substituted-5-acylimidazole compound UBE INDUSTRIES, LTD. (JP) 2010-12-28 US disclosed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP disclosed
US-20090306399-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-5-ACYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2009-12-10 US disclosed
US-7619084-B2 Reacting an acrylonitrile, ammonia and alkyl orthoformate in an ammonia-isopropyl alcoholsolution under stirring at 145 degrees C. for 12 hours; nonteratogenicity, nontoxic; simplification; industrial scale; chemical intermediates; drugs; agricultural chemicals UBE INDUSTRIES, LTD. (JP) 2009-11-17 US disclosed
US-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2009-07-02 US disclosed
US-20090137822-A1 Process for preparing 3-substituted thiophene UBE INDUSTRIES, LTD. (JP) 2009-05-28 US disclosed
US-20080306287-A1 Process for Preparing Tetrahydropyran-4-Carboxylic Acid Compound UBE INDUSTRIES, LTD. (JP) 2008-12-11 US disclosed
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2008-07-24 US disclosed
US-20080045712-A1 Process for Preparing 4-Aminopyrimidine Compound UBE INDUSTRIES, LTD. (JP) 2008-02-21 US disclosed
EP-1057808-B1 Sulfur-containing unsaturated carboxylate compound and its use MITSUI CHEMICALS INC (JP) 2007-03-14 EP disclosed
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 EP 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 (7 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-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 ALDH1A1 1242/4885CES2 1165/4885CES1 2064/4885
US-20080306287-A1 Process for Preparing Tetrahydropyran-4-Carboxylic Acid Compound ADH1A, ADH1C, HPD ALDH1A1 29/4885CES2 97/4885CES1 103/4885
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 ALDH1A1 1202/4885CES2 953/4885CES1 144/4885
US-20080045712-A1 Process for Preparing 4-Aminopyrimidine Compound ALKBH1, CBR1, CYP4B1 ALDH1A1 279/4885CES2 2092/4885CES1 2289/4885
US-20090306399-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-5-ACYLIMIDAZOLE COMPOUND AADAC, KAT5, HDAC5 ALDH1A1 659/4885CES2 1850/4885CES1 1420/4885
US-20090137822-A1 Process for preparing 3-substituted thiophene TMT1A, CTH, CBR1 ALDH1A1 37/4885CES2 290/4885CES1 320/4885
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 ALDH1A1 1242/4885CES2 1165/4885CES1 2064/4885

“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.