SCHEMBL3203279

SCHEMBL3203279

Cc1cc(-c2nc(-c3ccc(CC(=O)N4CC[C@H](C(=O)O)C4)cc3)no2)cc(CC(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.52
S1PR5 Q9H228 14/20 0.52
S1PR4 O95977 13/20 0.52
S1PR3 Q99500 9/20 0.52
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3203256 1.00 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3LMNA
SCHEMBL3210670 0.93 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3223686 0.86 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3218653 0.81 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3728492 0.77 S1PR1 (0.56) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14327237 0.74 L3MBTL1 (0.35) S1PR5LMNAMAPK1
SCHEMBL3227185 0.74 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3212083 0.74 S1PR1 (0.50) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14517901 0.73 S1PR1 (0.85) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13464560 0.71 S1PR1 (0.81) S1PR1S1PR5S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 S1PR1 96/4885S1PR5 140/4885S1PR4 84/4885

“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.