SCHEMBL1001804

SCHEMBL1001804

C[S@+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)oc2Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
KCNH2 Q12809 2/20 0.38
USP1 O94782 1/20 0.35
USP19 O94966 1/20 0.35
UCHL3 P15374 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
GCGR P47871 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
TP53 P04637 6/20 0.35
MAPT P10636 5/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
UTRN P46939 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1001803 1.00 FAAH (0.38) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1003969 1.00 FAAH (0.38) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1003313 0.78 FAAH (0.58) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1002300 0.78 FAAH (0.58) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1002301 0.78 FAAH (0.58) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1000153 0.78 FAAH (0.60) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1002445 0.77 FAAH (0.46) FAAHKCNH2USP1USP19UCHL3
SCHEMBL1004600 0.75 KDM5B (0.41) KDM4E
SCHEMBL1002193 0.75 KDM5B (0.41) KDM4E
SCHEMBL1002194 0.75 KDM5B (0.41) KDM4E

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 1/4885KCNH2 2570/4885USP1 1201/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2570/4885USP1 1201/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885KCNH2 2037/4885USP1 1223/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FAAH 1/4885KCNH2 1664/4885USP1 1514/4885

“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.