Sugi Predict

Sugi Predict / Compounds / SCHEMBL2125331

SCHEMBL2125331

SCHEMBL2125331

Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)OCC(C)C)C2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.84
▸ S1PR5 Q9H228 2/20 0.68
▸ S1PR3 Q99500 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
SCHEMBL2128493 0.92 S1PR1 (1.00) S1PR1S1PR5S1PR3
SCHEMBL2122446 0.91 S1PR1 (0.83) S1PR1S1PR5S1PR3
SCHEMBL2124506 0.91 S1PR1 (0.83) S1PR1S1PR5
SCHEMBL2121783 0.91 S1PR1 (0.88) S1PR1S1PR5S1PR3
SCHEMBL2123566 0.89 S1PR1 (0.80) S1PR1S1PR5S1PR3
SCHEMBL2124460 0.88 S1PR1 (0.83) S1PR1S1PR5S1PR3
Hydrochloric Acid SCHEMBL2122999 0.88 S1PR1 (0.82) S1PR1S1PR5S1PR3
Trifluoroacetic Acid SCHEMBL2123561 0.88 S1PR1 (0.92) S1PR1S1PR5S1PR3
SCHEMBL2128597 0.87 S1PR1 (0.81) S1PR1S1PR5S1PR3
SCHEMBL2122637 0.87 S1PR1 (1.00) S1PR1S1PR5S1PR3

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
EP-2443116-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS Glaxo Group Limited (GB) 2012-04-25 — — EP disclosed
WO-2010146104-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS GLAXO GROUP LIMITED (GB) 2010-12-23 — — WO disclosed