Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002859

SCHEMBL1002859

SCHEMBL1002859

N#CC1(c2ccc(-c3nc(-c4ccc(F)cc4)oc3Br)cn2)CC(O)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CTSK P43235 1/20 0.30
▸ USP1 O94782 1/20 0.30
▸ USP19 O94966 1/20 0.30
▸ UCHL3 P15374 1/20 0.30

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
SCHEMBL1001950 0.79 FAAH (0.59) FAAHKCNH2NPC1RAB9A
SCHEMBL1002274 0.79 HDAC1 (0.36) FFAR4HPGDHDAC6
SCHEMBL1003009 0.74 ALOX15 (0.42) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL1002103 0.74 ALOX15 (0.44) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL1004008 0.71 ALOX15 (0.37) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL20972239 0.71 OPRM1 (0.32) KDM4EALDH1A1NPC1RAB9A
SCHEMBL1000153 0.68 FAAH (0.60) KDM4EHDAC6ALOX15FAAHKCNH2
SCHEMBL1002445 0.67 FAAH (0.46) KDM4EALDH1A1HPGDALOX15FAAH
SCHEMBL1001803 0.66 FAAH (0.38) KDM4EALDH1A1ALOX15FAAHKCNH2
SCHEMBL1003969 0.66 FAAH (0.38) KDM4EALDH1A1ALOX15FAAHKCNH2

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
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-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
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 — — US 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 FFAR4 18/4885KDM4E 1099/4885ALDH1A1 628/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FFAR4 18/4885KDM4E 1099/4885ALDH1A1 628/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FFAR4 28/4885KDM4E 1293/4885ALDH1A1 726/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FFAR4 134/4885KDM4E 583/4885ALDH1A1 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.