SCHEMBL3406599

SCHEMBL3406599

COc1cc(CC(C)C)nc(-c2nc(-c3cc(C)c(O)c(C)c3)no2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.57
S1PR3 Q99500 11/20 0.57
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL3401874 0.92 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL3778042 0.83 S1PR1 (0.42) S1PR1S1PR3MAPTPOLBRAB9A
SCHEMBL3408368 0.78 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL3405035 0.77 S1PR1 (0.90) S1PR1S1PR3
SCHEMBL3403775 0.77 S1PR1 (0.90) S1PR1S1PR3
SCHEMBL3403770 0.77 S1PR1 (0.90) S1PR1S1PR3
SCHEMBL3406441 0.76 S1PR1 (0.47) S1PR1S1PR3MAPTPOLBRAB9A
SCHEMBL3403253 0.74 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3403248 0.74 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3727279 0.74 S1PR1 (0.58) S1PR1S1PR3RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 S1PR1 94/4885S1PR3 104/4885MAPT 4189/4885

“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.