SCHEMBL2804078

SCHEMBL2804078

CC(C)COc1ncc(-c2nc(-c3ccc(OCC(=O)O)c(F)c3)no2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.49
SCN5A Q14524 5/20 0.49
S1PR1 P21453 9/20 0.48
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 2/20 0.46
NR1H4 Q96RI1 2/20 0.45
MAP4K4 O95819 1/20 0.43
PRKCD Q05655 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2803420 0.90 S1PR1 (0.56) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL13127636 0.90 S1PR1 (0.51) S1PR1S1PR3S1PR5NR1H4MAP4K4
SCHEMBL2803085 0.88 S1PR1 (0.49) S1PR1S1PR3S1PR5NR1H4MAP4K4
SCHEMBL2787545 0.87 SCN9A (0.58) SCN9ASCN5AS1PR1S1PR3S1PR5
SCHEMBL2806776 0.86 S1PR1 (0.42) S1PR1S1PR3S1PR5NR1H4MAP4K4
SCHEMBL2803290 0.85 PPARD (0.45) SCN9AS1PR1S1PR3S1PR5NR1H4
SCHEMBL2806811 0.85 RARA (0.43) S1PR1S1PR3S1PR5NR1H4MAP4K4
SCHEMBL9968944 0.81 SCN9A (0.48) SCN9ASCN5AS1PR1S1PR3S1PR5
SCHEMBL14089851 0.76 S1PR1 (0.53) SCN9ASCN5AS1PR1S1PR3S1PR5
SCHEMBL4953629 0.76 SCN9A (0.48) SCN9ASCN5AS1PR1S1PR3S1PR5

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 SCN9A 2891/4885SCN5A 2239/4885S1PR1 483/4885

“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.