Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002569

SCHEMBL1002569

SCHEMBL1002569

COc1ccc(Sc2oc(-c3cccc(F)c3)nc2-c2cnc(C(C)(C)O)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ PTGS1 P23219 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
SCHEMBL1002513 0.89 FAAH (0.54) FAAHKCNH2USP2CYP1A2CYP3A4
SCHEMBL1002302 0.89 FAAH (0.51) FAAHKCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL1000449 0.89 FAAH (0.51) FAAHKCNH2MEN1KMT2AALDH1A1
SCHEMBL1002226 0.86 USP2 (0.38) KCNH2USP2CYP1A2CYP3A4TSHR
SCHEMBL1002710 0.81 FAAH (0.66) FAAHKCNH2ATR
SCHEMBL1002327 0.80 FAAH (0.65) FAAHKCNH2MEN1KMT2AALDH1A1
SCHEMBL1003037 0.79 FAAH (0.54) FAAHKCNH2USP2CYP1A2CYP3A4
SCHEMBL1001059 0.78 FAAH (0.65) FAAHKCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL1002561 0.78 FAAH (0.62) FAAHKCNH2CYP1A2CYP3A4TSHR
SCHEMBL1002634 0.75 FAAH (0.45) 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 6 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
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US claimed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — US 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 2570/4885USP2 1620/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885USP2 1620/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885USP2 1722/4885

“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.