SCHEMBL2774458

SCHEMBL2774458

COC(=O)c1ccc(-c2noc(-c3ccc(-c4cscc4C)c(C)c3)n2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.58
S1PR3 Q99500 2/20 0.51
RARA P10276 4/20 0.46
RARB P10826 4/20 0.46
RARG P13631 4/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
S1PR5 Q9H228 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL2774348 0.92 S1PR1 (0.63) S1PR1S1PR3RARARARBRARG
SCHEMBL2774286 0.90 S1PR1 (0.57) S1PR1S1PR3RARARARBRARG
SCHEMBL2773026 0.90 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL2771971 0.89 S1PR1 (0.64) S1PR1S1PR3RARARARBRARG
SCHEMBL2774919 0.88 S1PR1 (0.64) S1PR1S1PR3RARARARBRARG
SCHEMBL2773738 0.87 S1PR1 (0.57) S1PR1S1PR3NPC1RAB9AMAPT
SCHEMBL2771651 0.86 S1PR1 (0.57) S1PR1S1PR3RARARARBRARG
SCHEMBL2774239 0.85 S1PR1 (0.59) S1PR1S1PR3RARARARBRARG
SCHEMBL2773615 0.85 S1PR1 (0.56) S1PR1S1PR3RARARARBRARG
SCHEMBL2771897 0.85 S1PR1 (0.62) S1PR1S1PR3NPC1RAB9AMAPT

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 335/4885RARA 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.