SCHEMBL2136258

SCHEMBL2136258

CCc1c(-c2cnc(-c3ccc(OC(C)C)c(C#N)c3)s2)ccnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.61
CYP2C9 P11712 4/20 0.61
S1PR5 Q9H228 3/20 0.56
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
XDH P47989 3/20 0.44
CYP2D6 P10635 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
SCHEMBL2594811 0.84 S1PR1 (0.80) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL3421493 0.83 S1PR1 (0.43) S1PR1CYP2C9S1PR5CYP2C19KCNH2
SCHEMBL1293298 0.83 S1PR1 (0.68) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL12102882 0.81 S1PR1 (0.73) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL2135554 0.81 S1PR1 (0.78) S1PR1CYP2C9S1PR5CYP2D6
SCHEMBL2719160 0.81 S1PR1 (0.70) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL12102893 0.80 S1PR1 (0.77) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL1293234 0.79 S1PR1 (0.73) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL1293219 0.79 S1PR1 (0.63) S1PR1CYP2C9S1PR5XDHCYP2D6
SCHEMBL12102933 0.79 S1PR1 (0.79) S1PR1CYP2C9S1PR5CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 S1PR1 1/4885CYP2C9 3708/4885S1PR5 2/4885

“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.