SCHEMBL2804370

SCHEMBL2804370

Cc1cc(-c2nc(-c3ccc(O)c(C(=O)O)c3)no2)ccc1-c1cscc1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.55
MCL1 Q07820 2/20 0.46
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RARG P13631 3/20 0.44
EIF4E P06730 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
S1PR3 Q99500 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
SCHEMBL2773738 0.90 S1PR1 (0.57) S1PR1NPC1RAB9AS1PR3
SCHEMBL2775227 0.87 MCL1 (0.61) S1PR1MCL1RARARARBRARG
SCHEMBL2774286 0.86 S1PR1 (0.57) S1PR1RARARARBRARGS1PR3
SCHEMBL2839980 0.81 S1PR1 (0.59) S1PR1RARARARBRARGNR1H4
SCHEMBL2841671 0.81 S1PR1 (0.59) S1PR1RARARARBRARGNR1H4
SCHEMBL2805606 0.80 S1PR1 (0.60) S1PR1RARARARBRARGNR1H4
SCHEMBL2774458 0.79 S1PR1 (0.58) S1PR1RARARARBRARGNPC1
SCHEMBL13601860 0.78 S1PR1 (0.57) S1PR1NPC1RAB9AS1PR3
SCHEMBL2771346 0.77 S1PR1 (0.58) S1PR1MCL1NPC1RAB9ANR1H4
SCHEMBL2775573 0.76 S1PR1 (0.60) S1PR1RARARARBRARGS1PR3

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-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
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
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 483/4885MCL1 399/4885RARA 1404/4885

“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.