SCHEMBL1003156

SCHEMBL1003156

CC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.55
KCNH2 Q12809 5/20 0.55
MAPK13 O15264 2/20 0.38
GCGR P47871 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
TP53 P04637 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1004082 0.89 FAAH (0.70) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1002561 0.86 FAAH (0.62) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1002693 0.82 FAAH (0.79) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1002100 0.81 FAAH (0.48) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1002926 0.78 FAAH (0.79) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1002384 0.76 FAAH (0.45) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1002302 0.76 FAAH (0.51) FAAHKCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL1961307 0.75 FAAH (0.77) FAAHKCNH2TNKSPARP1TNKS2
SCHEMBL1002383 0.75 FAAH (0.47) FAAHKCNH2MAPK13GCGRMAPK12
SCHEMBL1000449 0.75 FAAH (0.51) FAAHKCNH2MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 US claimed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 US claimed
EP-2321288-B1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2014-03-19 EP claimed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 US claimed
JP-2011529965-A 2011-12-15 JP claimed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 US claimed
EP-2321288-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck & Co., Inc. (US) 2011-05-18 EP claimed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 US claimed
WO-2010017079-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2010-02-11 WO claimed

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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885MAPK13 3048/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885MAPK13 3048/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885MAPK13 3119/4885

“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.