Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002928

SCHEMBL1002928

SCHEMBL1002928

O=C(O)[C@H]1C[C@@H]1c1ccc(-c2nc(C3CC3)oc2Sc2ccc(Cl)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 20/20 0.58
▸ CNR1 P21554 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL1002081 0.89 FAAH (0.70) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL1003049 0.87 FAAH (0.63) FAAH
SCHEMBL15520358 0.81 FAAH (0.61) FAAH
SCHEMBL1003312 0.78 FAAH (0.63) FAAH
SCHEMBL15520598 0.77 FAAH (0.60) FAAH
SCHEMBL2681410 0.77 FAAH (0.85) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL1728639 0.77 FAAH (0.85) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL27903320 0.77 FAAH (0.61) FAAH
SCHEMBL2681853 0.77 FAAH (0.82) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL15520602 0.76 FAAH (0.56) FAAH

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 7 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 disclosed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — US disclosed
EP-2321288-B1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2014-03-19 — — EP disclosed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 — — US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 1/4885CNR1 25/4885ACHE 159/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885CNR1 25/4885ACHE 159/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885CNR1 19/4885ACHE 106/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FAAH 1/4885CNR1 14/4885ACHE 100/4885

“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.