SCHEMBL1293299

SCHEMBL1293299

CCc1c(CN2CC[C@H](C(=O)O)C2)cccc1-c1nnc(-c2ccc(OC(C)C)c(Cl)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.69
S1PR3 Q99500 4/20 0.55
MAP4K4 O95819 1/20 0.47
MINK1 Q8N4C8 1/20 0.47

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
SCHEMBL1293310 1.00 S1PR1 (0.69) S1PR1S1PR3MAP4K4MINK1
Trifluoroacetic Acid SCHEMBL1293545 0.96 S1PR1 (0.64) S1PR1S1PR3MAP4K4MINK1
SCHEMBL1293110 0.96 S1PR1 (0.68) S1PR1S1PR3MAP4K4MINK1
SCHEMBL1293082 0.96 S1PR1 (0.68) S1PR1S1PR3MAP4K4MINK1
SCHEMBL1293495 0.95 S1PR1 (0.67) S1PR1S1PR3MAP4K4MINK1
SCHEMBL1293396 0.95 S1PR1 (0.76) S1PR1S1PR3MAP4K4MINK1
Bromide SCHEMBL1293557 0.94 S1PR1 (0.75) S1PR1S1PR3MAP4K4MINK1
Hydrochloric Acid SCHEMBL1293249 0.94 S1PR1 (0.75) S1PR1S1PR3MAP4K4MINK1
Hydrochloric Acid SCHEMBL1293047 0.94 S1PR1 (0.75) S1PR1S1PR3MAP4K4MINK1
SCHEMBL1293401 0.93 S1PR1 (0.72) S1PR1S1PR3MAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563785-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS Glaxo Group Limited (GB) 2013-03-06 EP claimed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US claimed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO claimed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US claimed
EP-2563785-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS Glaxo Group Limited (GB) 2013-03-06 EP 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

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 1079/4885MAP4K4 2314/4885

“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.