SCHEMBL6524637

SCHEMBL6524637

CC(C)[C@@H](C(=O)N1CCC(Oc2cnc(F)c(F)c2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LNPEP Q9UIQ6 3/20 0.37
GPR119 Q8TDV5 3/20 0.36
TIPARP Q7Z3E1 1/20 0.35
NAMPT P43490 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL6525063 0.86 GPR119 (0.45) PTGS1PTGS2LNPEPGPR119NAMPT
SCHEMBL6520019 0.85 PTGS1 (0.47) ACACBPTGS1PTGS2GPR119NAMPT
SCHEMBL6525322 0.85 P2RX3 (0.39) LNPEPTIPARPNAMPTHRH3
SCHEMBL6522050 0.84 LNPEP (0.37) LNPEPGPR119NAMPTHRH3
SCHEMBL6525386 0.83 HSD11B1 (0.42) ACACBGPR119
SCHEMBL6518444 0.83 CYP11B2 (0.40) LNPEPGPR119NAMPT
SCHEMBL6522441 0.83 GPR119 (0.41) ACACBLNPEPGPR119NAMPT
SCHEMBL6522432 0.82 HMOX1 (0.39) ACACBLNPEPGPR119NAMPTHRH3
SCHEMBL6525325 0.82 LIPE (0.51) ACACBLNPEPGPR119NAMPT
SCHEMBL6524790 0.82 NAMPT (0.44) PTGS1PTGS2NAMPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 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 (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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 ACACB 3542/4885PTGS1 733/4885PTGS2 1392/4885

“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.