SCHEMBL2773840

SCHEMBL2773840

COCc1cc(-c2nc(-c3cc(F)c(C(=O)OC)cc3OC)no2)ccc1-c1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.68
S1PR3 Q99500 2/20 0.68
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL2774612 0.93 S1PR1 (0.75) S1PR1S1PR3KDM4ENPC1ALDH1A1
SCHEMBL410136 0.92 S1PR1 (0.71) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2775209 0.90 S1PR1 (0.59) S1PR1S1PR3TP53
SCHEMBL411050 0.88 S1PR1 (0.81) S1PR1S1PR3NPC1RAB9A
SCHEMBL2806764 0.86 S1PR1 (0.64) S1PR1S1PR3TP53KDM4ENPC1
SCHEMBL410557 0.85 S1PR1 (0.79) S1PR1S1PR3NPC1SMN1; SMN2NPSR1
SCHEMBL2772658 0.85 S1PR1 (0.66) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2774386 0.85 S1PR1 (0.65) S1PR1S1PR3TP53
SCHEMBL2772117 0.84 S1PR1 (0.66) S1PR1S1PR3TP53KDM4ENPC1
SCHEMBL406882 0.83 S1PR1 (0.93) S1PR1S1PR3

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 5 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-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 (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 335/4885TP53 2578/4885

“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.