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SCHEMBL1000431

SCHEMBL1000431

CC(C)(O)c1ccc(-c2nc(-c3ccc(Cl)c(F)c3)oc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 17/20 0.62
▸ KCNH2 Q12809 4/20 0.62
▸ SYK P43405 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

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
SCHEMBL1004756 0.94 FAAH (0.65) FAAHKCNH2SYKGABRA1GABRG2
SCHEMBL1002586 0.93 FAAH (0.64) FAAHKCNH2SYK
SCHEMBL1002655 0.89 FAAH (0.80) FAAHKCNH2
SCHEMBL1001059 0.89 FAAH (0.65) FAAHKCNH2SYKALDH1A1
SCHEMBL1961921 0.89 FAAH (0.68) FAAHKCNH2SYKALDH1A1GABRA1
SCHEMBL1002693 0.88 FAAH (0.79) FAAHKCNH2ALDH1A1
SCHEMBL1003037 0.84 FAAH (0.54) FAAHKCNH2SYKALDH1A1
SCHEMBL1002523 0.83 FAAH (0.82) FAAHKCNH2
SCHEMBL1002555 0.83 FAAH (0.65) FAAHKCNH2SYKGABRA1GABRG2
SCHEMBL1844057 0.82 FAAH (0.81) FAAHKCNH2

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 2570/4885SYK 1979/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885SYK 1979/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885SYK 1820/4885

“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.