SCHEMBL804497

SCHEMBL804497

CC1Cn2ncc(-c3nc(-c4ccc(CN5CC(C(=O)O)C5)cc4)no3)c2C2CCOCC12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.62
S1PR5 Q9H228 14/20 0.54
S1PR4 O95977 11/20 0.54
S1PR3 Q99500 6/20 0.54

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
SCHEMBL10269683 0.88 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3
SCHEMBL772529 0.77 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL772248 0.76 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL803889 0.75 PLAT (0.45) S1PR1S1PR5
SCHEMBL1334375 0.73 S1PR1 (0.75) S1PR1S1PR5S1PR4S1PR3
SCHEMBL10269631 0.73 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL15384213 0.72 S1PR1 (0.81) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1336650 0.72 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3749519 0.72 S1PR1 (0.98) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13415797 0.71 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3

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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR5 4/4885S1PR4 5/4885

“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.