SCHEMBL1293124

SCHEMBL1293124

CCc1c(C=O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.49
S1PR3 Q99500 4/20 0.47
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL1293059 0.88 S1PR1 (0.46) S1PR1S1PR3RXRARXRBRXRG
SCHEMBL1293061 0.88 S1PR1 (0.46) S1PR1S1PR3RXRARXRBRXRG
SCHEMBL1293056 0.87 S1PR1 (0.49) S1PR1S1PR3RXRARXRBRXRG
SCHEMBL1293072 0.87 S1PR1 (0.54) S1PR1S1PR3RXRARXRBRXRG
SCHEMBL12102363 0.87 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL1293284 0.86 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL1293425 0.85 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL2413133 0.82 S1PR1 (0.47) S1PR1S1PR3RXRARXRBRXRG
SCHEMBL1293041 0.78 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL1292957 0.77 S1PR1 (0.78) 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 7 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 disclosed
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
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 1079/4885RXRA 795/4885

“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.