SCHEMBL3431970

SCHEMBL3431970

CCc1c(-c2cnc(-c3ccc(CC(C)C)c(C#N)c3)s2)ccc2c1CCN(CCCC(=O)O)C2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.52
CYP2C9 P11712 2/20 0.52
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 2/20 0.42

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
SCHEMBL3433674 0.96 S1PR1 (0.50) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL3481000 0.90 S1PR1 (0.45) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL13019675 0.90 S1PR1 (0.55) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL2115811 0.88 S1PR1 (0.65) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL2120198 0.85 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2117549 0.84 S1PR1 (0.62) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL3432114 0.81 S1PR1 (0.57) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL3479979 0.81 S1PR1 (0.51) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL3432113 0.78 S1PR1 (0.58) S1PR1CYP2C9S1PR3S1PR5
SCHEMBL1293103 0.75 S1PR1 (0.75) S1PR1CYP2C9S1PR3

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-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-04-19 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-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR5, S1PR2 S1PR1 1/4885CYP2C9 3382/4885S1PR3 4/4885

“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.