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SCHEMBL1004606

SCHEMBL1004606

CS(=O)(=O)c1ccc(C(=O)COC(=O)C2CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RECQL P46063 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1003197 0.77 MAPK1 (0.56) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL27839079 0.74 RAB9A (0.45) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL1004690 0.73 GSK3B (0.46) —
SCHEMBL2364757 0.73 ALDH1A1 (0.50) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL1000357 0.72 MAPK1 (0.54) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL4575816 0.70 NPC1 (0.58) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL2356584 0.69 NPC1 (0.43) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL1017515 0.69 P4HTM (0.53) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14480244 0.69 KCNJ1 (0.42) RAB9AALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL30612303 0.69 P4HTM (0.53) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 21 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
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
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 NPC1 1094/4885RAB9A 4729/4885ALDH1A1 628/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 NPC1 1094/4885RAB9A 4729/4885ALDH1A1 628/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 NPC1 1114/4885RAB9A 4415/4885ALDH1A1 726/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 NPC1 1412/4885RAB9A 3098/4885ALDH1A1 1422/4885

“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.