SCHEMBL13644151

SCHEMBL13644151

COc1cc2c(cnn2CCCC=O)cc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.48
S1PR3 Q99500 8/20 0.47
S1PR5 Q9H228 6/20 0.47
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
S1PR2 O95136 2/20 0.45
S1PR4 O95977 2/20 0.45

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
SCHEMBL13644166 0.92 S1PR1 (0.53) S1PR1S1PR3S1PR5KCNH2CYP3A4
SCHEMBL13644165 0.91 S1PR1 (0.51) S1PR1S1PR3S1PR5KCNH2CYP3A4
SCHEMBL13644149 0.91 S1PR1 (0.49) S1PR1S1PR3S1PR5KCNH2CYP3A4
SCHEMBL12600269 0.89 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL2030568 0.86 S1PR1 (0.52) S1PR1S1PR3S1PR5KCNH2CYP3A4
SCHEMBL13361435 0.86 S1PR1 (0.58) S1PR1S1PR3S1PR5KCNH2CYP2C9
SCHEMBL13361423 0.84 S1PR1 (0.58) S1PR1S1PR3S1PR5KCNH2
SCHEMBL12809104 0.81 S1PR1 (0.60) S1PR1S1PR3S1PR5KCNH2CYP2C9
SCHEMBL12600665 0.81 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL12601142 0.80 S1PR1 (0.61) S1PR1S1PR3S1PR5CYP2C9

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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 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.