SCHEMBL2133531

SCHEMBL2133531

CC(C)Oc1ccc(-c2nc(-c3cncc4c3ccn4CCCC(=O)O)no2)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.75
S1PR3 Q99500 4/20 0.59
S1PR5 Q9H228 1/20 0.57
CYP2C9 P11712 2/20 0.56

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
SCHEMBL2123014 0.96 S1PR1 (0.81) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL2124223 0.92 S1PR1 (0.63) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL13019822 0.90 S1PR1 (0.69) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL2124526 0.90 S1PR1 (0.83) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL401724 0.90 S1PR1 (0.92) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL2124883 0.88 S1PR1 (0.67) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL403211 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR5CYP2C9
SCHEMBL2125935 0.85 S1PR1 (0.75) S1PR1S1PR3S1PR5
SCHEMBL1968502 0.85 S1PR1 (0.81) S1PR1S1PR3CYP2C9
SCHEMBL401604 0.84 S1PR1 (0.92) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP claimed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US claimed
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 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-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 S1PR1 1075/4885S1PR3 1079/4885S1PR5 930/4885

“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.