SCHEMBL4080719

SCHEMBL4080719

CCOC(=O)c1nnc(S)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.40
FHIT P49789 1/20 0.40
AKT1 P31749 1/20 0.39
IRS1 P35568 1/20 0.39
GAB1 Q13480 1/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MC4R P32245 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL4315953 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL299130 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL15945408 0.78 GAA (0.50) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL283280 0.78 ALDH1A1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL281865 0.78 MAPT (0.43) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL24369643 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL13477788 0.76 GAA (0.44) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL12635484 0.75 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL2113638 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL19558977 0.75 RECQL (0.56) ALDH1A1MAPTHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52048666-A None JP disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 EP disclosed
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 EP disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
EP-0532674-A4 LEUKOTRIENE ANTAGONISTS 1993-04-07 EP disclosed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
US-5143931-A 2-Phenyl-2((tetrazolyl or imidazolyl)thio)alkanoic acid derivatives; antiphylactic and bronchodilator agents SMITHKLINE BEECHAM CORPORATION (US) 1992-09-01 US disclosed
EP-0296731-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-08-26 EP disclosed
US-5135938-A Bronchodilator SMITHKLINE BEECHAM CORPORATION (US) 1992-08-04 US disclosed
WO-1991018889-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
US-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
EP-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed
EP-0289002-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1988-11-02 EP disclosed
JP-S5248666-A PREPARATION OF MERCAPTOTHIAZOLE-CARBOXYLIC ACIDS AND THEIR ESTERS MEIJI SEIKA KAISHA LTD 1977-04-18 JP 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-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALDH1A1 1865/4885MAPT 4659/4885HPGD 895/4885

“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.