SCHEMBL10247062

SCHEMBL10247062

COCc1cc(-c2nc(-c3cccc(CN(C)CC(=O)OC(C)(C)C)c3)co2)ccc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.44
S1PR3 Q99500 2/20 0.44
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
CD274 Q9NZQ7 2/20 0.36
PPARA Q07869 3/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PPARG P37231 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL2772903 0.87 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL10247088 0.84 S1PR1 (0.44) S1PR1S1PR3ENPP3ENPP1CD274
SCHEMBL408346 0.82 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL2771358 0.80 S1PR1 (0.51) S1PR1S1PR3CD274HDAC6
SCHEMBL10247409 0.80 S1PR1 (0.46) S1PR1S1PR3ENPP3ENPP1CD274
SCHEMBL405590 0.80 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL406842 0.80 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL408025 0.79 S1PR1 (0.51) S1PR1S1PR3HDAC6
SCHEMBL408444 0.79 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL406539 0.79 S1PR1 (0.54) S1PR1S1PR3

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-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 310/4885ENPP3 838/4885

“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.