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Sugi Predict / Compounds / SCHEMBL1002220

SCHEMBL1002220

SCHEMBL1002220

COC(=O)C(C)(C)c1ccc(-c2coc(-c3ccc(F)cc3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ PDE4B Q07343 2/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL1000994 0.83 FAAH (0.48) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL1002549 0.79 FAAH (0.44) HDAC1HDAC8HDAC6LMNAHPGD
SCHEMBL1000268 0.74 RAB9A (0.51) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL1002945 0.74 HDAC1 (0.47) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL1002350 0.72 HDAC1 (0.48) HDAC1HDAC8HDAC6MMP13LMNA
SCHEMBL1002193 0.72 KDM5B (0.41) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL1002194 0.72 KDM5B (0.41) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL1004600 0.72 KDM5B (0.41) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL1005004 0.71 FAAH (0.76) FAAHKCNH2
SCHEMBL15520372 0.71 HDAC1 (0.46) HDAC1HDAC8HDAC6S1PR1S1PR3

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 22 patents — showing the first 20. 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-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 — — US disclosed
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
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — 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-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US 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
EP-2528603-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS Merck Sharp & Dohme Corp. (US) 2012-12-05 — — EP disclosed
WO-2011094209-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — WO disclosed
WO-2011094209-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — WO disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — 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
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — 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 HDAC1 704/4885HDAC8 796/4885HDAC6 702/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 HDAC1 704/4885HDAC8 796/4885HDAC6 702/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 HDAC1 715/4885HDAC8 714/4885HDAC6 555/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 HDAC1 1337/4885HDAC8 1491/4885HDAC6 609/4885

“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.