SCHEMBL3092745

SCHEMBL3092745

COc1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CO)c(C)c3)no2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.53
S1PR3 Q99500 16/20 0.49

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
SCHEMBL3087173 0.91 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL3095824 0.90 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL3095687 0.89 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL3662496 0.89 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL3080413 0.86 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL3088314 0.85 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL3097577 0.85 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL3092304 0.84 MAP4K4 (0.51) S1PR1S1PR3
SCHEMBL3074472 0.84 MAP4K4 (0.51) S1PR1S1PR3
SCHEMBL3222696 0.84 S1PR1 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD S1PR1 989/4885S1PR3 943/4885

“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.