Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002226

SCHEMBL1002226

SCHEMBL1002226

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ CES2 O00748 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL1002634 0.88 FAAH (0.45) KCNH2
SCHEMBL1002569 0.86 FAAH (0.42) USP2CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL1002513 0.79 FAAH (0.54) USP2CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL1002100 0.76 FAAH (0.48) CYP1A2CYP3A4TSHRCYP2C19KDM4E
SCHEMBL1002302 0.75 FAAH (0.51) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL1002251 0.68 FAAH (0.48) TSHRKDM4EALDH1A1PPARGPPARA
SCHEMBL1002327 0.68 FAAH (0.65) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL1003037 0.68 FAAH (0.54) USP2CYP1A2CYP3A4TSHRKDM4E
SCHEMBL1001059 0.67 FAAH (0.65) CYP1A2CYP3A4CYP2C19ALDH1A1KCNH2
SCHEMBL1002710 0.66 FAAH (0.66) KCNH2

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 USP2 1620/4885CYP1A2 456/4885CYP3A4 487/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 USP2 1620/4885CYP1A2 456/4885CYP3A4 487/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 USP2 1722/4885CYP1A2 415/4885CYP3A4 584/4885

“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.