SCHEMBL2566796

SCHEMBL2566796

C[S+]([O-])c1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)oc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
GPR119 Q8TDV5 11/20 0.43
MAPT P10636 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL14574585 0.87 HTR2B (0.39) FAAHSMN1; SMN2THRBMAPT
SCHEMBL7718857 0.85 GPR119 (0.52) FAAHSMN1; SMN2GAATHRBGPR119
SCHEMBL14574597 0.80 FAAH (0.79) FAAH
SCHEMBL4175718 0.77 NAMPT (0.56) THRBGPR119MAPTPTPN2PTPN1
SCHEMBL558040 0.75 SMN1; SMN2 (0.55) FAAHSMN1; SMN2GAATHRBGPR119
SCHEMBL3104584 0.75 HTT (0.56) FAAHSMN1; SMN2GAATHRBGPR119
SCHEMBL3102619 0.72 SMN1; SMN2 (0.50) FAAHSMN1; SMN2GAATHRBGPR119
SCHEMBL16597919 0.72 BTK (0.49) FAAHSMN1; SMN2GAATHRBGPR119
SCHEMBL14574543 0.72 HTR2B (0.40) FAAHSMN1; SMN2THRB
SCHEMBL7711368 0.72 RECQL (0.47) FAAHSMN1; SMN2GAATHRBGPR119

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193697-B2 Oxazole derivatives useful as modulators of FAAH MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
US-9193697-B2 Oxazole derivatives useful as modulators of FAAH MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
US-9193697-B2 Oxazole derivatives useful as modulators of FAAH MERCK SHARP & DOHME CORP. (US) 2015-11-24 US disclosed
EP-2555772-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-02-13 EP disclosed
US-20130018048-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-01-17 US disclosed
US-20130018048-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-01-17 US disclosed
US-20130018048-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-01-17 US disclosed
WO-2011126960-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-10-13 WO disclosed
WO-2011126960-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-10-13 WO 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 (1 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-20130018048-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, ALOX5 FAAH 1/4885SMN1; SMN2 304/4885GAA 1029/4885

“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.