SCHEMBL12129281

SCHEMBL12129281

Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cnn1-c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.62
S1PR5 Q9H228 8/20 0.62
S1PR4 O95977 7/20 0.62
S1PR3 Q99500 10/20 0.59

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
SCHEMBL1336443 0.90 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1336266 0.89 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1336650 0.89 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1335722 0.88 S1PR1 (0.62) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1335612 0.87 S1PR1 (0.64) S1PR1S1PR5S1PR4S1PR3
SCHEMBL12129286 0.83 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL1335945 0.81 S1PR1 (0.68) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237186 0.80 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14237139 0.80 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1334297 0.80 S1PR1 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 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-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS S1PR3, S1PR1, S1PR4 S1PR1 2/4885S1PR5 4/4885S1PR4 3/4885

“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.