SCHEMBL1724940

SCHEMBL1724940

CC1CCCCN1c1ccc(-c2nc(-c3ccnc(CO)c3)no2)cc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.66
S1PR3 Q99500 1/20 0.48
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL1726743 0.92 S1PR1 (0.66) S1PR1TP53POLB
SCHEMBL1725916 0.88 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL1725070 0.86 S1PR1 (0.66) S1PR1S1PR3TP53
SCHEMBL1727081 0.84 S1PR1 (0.57) S1PR1TP53POLB
SCHEMBL27828743 0.82 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL13187306 0.81 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL27851610 0.81 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL2787960 0.80 S1PR1 (0.67) S1PR1TP53POLB
SCHEMBL2774195 0.80 S1PR1 (0.67) S1PR1TP53POLB
SCHEMBL2772910 0.80 S1PR1 (0.66) S1PR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885TP53 4853/4885

“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.