SCHEMBL1001827

SCHEMBL1001827

COc1ccc(Sc2oc(-c3ccc(F)cc3)nc2-c2ccc(C(C)(C)O)nc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.62
KCNH2 Q12809 4/20 0.62
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
GCGR P47871 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDO2 P48775 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ATR Q13535 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ADORA2B P29275 1/20 0.32
TP53 P04637 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
SCHEMBL1002327 0.89 FAAH (0.65) FAAHKCNH2NPC1RAB9AMAPK13
SCHEMBL1002961 0.89 FAAH (0.65) FAAHKCNH2NPC1RAB9AMAPK13
SCHEMBL1001577 0.85 FAAH (0.61) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL1002693 0.84 FAAH (0.79) FAAHKCNH2NPC1RAB9AMAPK13
SCHEMBL1001433 0.83 FAAH (0.68) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL1847109 0.83 FAAH (0.65) FAAHKCNH2NPC1RAB9AMAPK13
SCHEMBL1961921 0.81 FAAH (0.68) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL1000363 0.81 FAAH (0.70) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL1001051 0.80 FAAH (0.85) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL1002513 0.80 FAAH (0.54) FAAHKCNH2KDM4EPTGS1TP53

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 2570/4885NPC1 1094/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885NPC1 1094/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885NPC1 1114/4885

“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.