SCHEMBL12102734

SCHEMBL12102734

BCc1cccc(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c1CC

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR3 Q99500 1/20 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
SCHEMBL12176663 0.93 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL12102768 0.92 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1293430 0.87 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1293284 0.83 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL2131298 0.82 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1293098 0.81 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1293101 0.81 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1293396 0.81 S1PR1 (0.76) S1PR1S1PR3
Bromide SCHEMBL1293557 0.80 S1PR1 (0.75) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1293249 0.80 S1PR1 (0.75) S1PR1S1PR3

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
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 S1PR1 1075/4885S1PR3 1079/4885

“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.