SCHEMBL10246926

SCHEMBL10246926

CCOc1cc(-c2nc(-c3cccc(CN(C)CC(=O)O)c3)no2)ccc1-c1ccc(F)c(F)c1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.55
S1PR3 Q99500 7/20 0.50
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL408845 0.87 S1PR1 (0.58) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL410559 0.86 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9A
SCHEMBL10247215 0.81 S1PR1 (0.47) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL10247474 0.81 S1PR1 (0.49) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL409796 0.80 S1PR1 (0.66) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL10246764 0.79 S1PR1 (0.52) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL19339930 0.79 S1PR1 (0.53) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL409451 0.79 S1PR1 (0.56) S1PR1S1PR3NPC1RAB9A
SCHEMBL10247173 0.79 S1PR1 (0.55) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL10246830 0.79 S1PR1 (0.62) S1PR1S1PR3NPC1RAB9AS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885KDM4E 1908/4885

“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.