SCHEMBL2472387

SCHEMBL2472387

Cc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCN1CCN(CC(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.40
S1PR3 Q99500 12/20 0.40
S1PR5 Q9H228 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2458366 0.91 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL6123033 0.89 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2456415 0.89 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL2458278 0.89 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2461691 0.88 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL2463275 0.88 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL2472864 0.88 S1PR1 (0.34) S1PR1S1PR3SMN1; SMN2
SCHEMBL2456412 0.87 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL2468369 0.87 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL2456409 0.86 S1PR1 (0.41) S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP claimed
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease Almirall, S.A. (ES) 2012-05-23 EP claimed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US claimed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP claimed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO claimed
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease Almirall, S.A. (ES) 2012-05-23 EP disclosed
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR5 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.