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Sugi Predict / Compounds / SCHEMBL1002555

SCHEMBL1002555

SCHEMBL1002555

CC(C)(O)c1ccc(-c2nc(-c3ccc(F)c(F)c3)oc2Sc2ncc(Cl)cn2)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.65
▸ KCNH2 Q12809 4/20 0.65
▸ GABRA1 P14867 6/20 0.32
▸ GABRG2 P18507 6/20 0.32
▸ GABRB3 P28472 6/20 0.32
▸ GABRA5 P31644 6/20 0.32
▸ GABRA3 P34903 6/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ SYK P43405 3/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1002336 0.90 FAAH (0.79) FAAHKCNH2
SCHEMBL1002207 0.89 FAAH (0.70) FAAHKCNH2SYK
SCHEMBL1002523 0.89 FAAH (0.82) FAAHKCNH2
SCHEMBL1004756 0.88 FAAH (0.65) FAAHKCNH2GABRA1GABRG2GABRB3
SCHEMBL1002655 0.83 FAAH (0.80) FAAHKCNH2
SCHEMBL1000431 0.83 FAAH (0.62) FAAHKCNH2GABRA1GABRG2GABRB3
SCHEMBL1000363 0.83 FAAH (0.70) FAAHKCNH2GABRA1GABRG2GABRB3
SCHEMBL1003037 0.82 FAAH (0.54) FAAHKCNH2SYKPDGFRBPDGFRA
SCHEMBL1844057 0.82 FAAH (0.81) FAAHKCNH2
SCHEMBL1002586 0.82 FAAH (0.64) FAAHKCNH2SYKGRIN2B

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 2570/4885GABRA1 1182/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885GABRA1 1182/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885GABRA1 1451/4885

“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.