SCHEMBL1000402

SCHEMBL1000402

CC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2cc(F)c(F)cc2F)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.67
KCNH2 Q12809 4/20 0.67
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK13 O15264 1/20 0.34
GCGR P47871 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
GABRA1 P14867 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRA3 P34903 4/20 0.34
GABRA2 P47869 2/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL1004691 0.93 FAAH (0.68) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1004255 0.88 FAAH (0.73) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1001433 0.87 FAAH (0.68) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1000363 0.84 FAAH (0.70) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1001051 0.83 FAAH (0.85) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1961921 0.82 FAAH (0.68) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1002693 0.82 FAAH (0.79) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1002336 0.82 FAAH (0.79) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1001577 0.81 FAAH (0.61) FAAHKCNH2KDM4ETP53MAPT
SCHEMBL1003065 0.81 FAAH (0.80) FAAHKCNH2KDM4ETP53MAPT

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 2570/4885KDM4E 1099/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885KDM4E 1099/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885KDM4E 1293/4885

“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.