SCHEMBL411050

SCHEMBL411050

COCc1cc(-c2nc(-c3ccc(C(=O)OC)c(F)c3)no2)ccc1-c1ccccc1C

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.81
S1PR3 Q99500 2/20 0.81
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL2772309 0.94 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9A
SCHEMBL2771975 0.93 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9A
SCHEMBL2773257 0.93 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9A
SCHEMBL2773757 0.93 S1PR1 (0.69) S1PR1S1PR3NPC1RAB9ANR1H4
SCHEMBL406882 0.93 S1PR1 (0.93) S1PR1S1PR3NR1H4
SCHEMBL2772469 0.93 S1PR1 (0.69) S1PR1S1PR3NPC1RAB9A
SCHEMBL2771889 0.92 S1PR1 (0.69) S1PR1S1PR3NPC1RAB9A
SCHEMBL2804910 0.92 S1PR1 (0.68) S1PR1S1PR3NPC1RAB9A
SCHEMBL13127535 0.91 S1PR1 (0.78) S1PR1S1PR3NPC1RAB9ANR1H4
SCHEMBL2804397 0.91 S1PR1 (0.81) S1PR1S1PR3NPC1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP 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 (2 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 335/4885NPC1 4814/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885NPC1 3880/4885

“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.