SCHEMBL2803420

SCHEMBL2803420

CC(C)Oc1ncc(-c2nc(-c3ccc(OCC(=O)O)c(F)c3)no2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.56
S1PR3 Q99500 6/20 0.56
S1PR5 Q9H228 4/20 0.56
MAP4K4 O95819 3/20 0.49
MINK1 Q8N4C8 3/20 0.49
PRKCD Q05655 1/20 0.48
DYRK3 O43781 1/20 0.46
MARK3 P27448 1/20 0.46
PLK1 P53350 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL2803085 0.92 S1PR1 (0.49) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2804078 0.90 SCN9A (0.49) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2807560 0.86 S1PR1 (0.58) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2806811 0.86 RARA (0.43) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2806776 0.85 S1PR1 (0.42) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2803290 0.84 PPARD (0.45) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL13127636 0.83 S1PR1 (0.51) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL12391497 0.82 MAP4K4 (0.55) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL12391496 0.82 MAP4K4 (0.55) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2135532 0.81 S1PR1 (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 S1PR1 483/4885S1PR3 335/4885S1PR5 767/4885

“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.