SCHEMBL2771897

SCHEMBL2771897

COC(=O)c1ccc(-c2noc(-c3ccc(-c4cscc4C)c(C)c3)n2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.62
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.45
CYP2A6 P11509 1/20 0.44
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
S1PR3 Q99500 2/20 0.42
ALDH1A1 P00352 1/20 0.42
S1PR5 Q9H228 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
SCHEMBL2805606 0.89 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL2775433 0.88 S1PR1 (0.64) S1PR1NPC1RAB9AMAPTS1PR3
SCHEMBL2774458 0.85 S1PR1 (0.58) S1PR1NPC1RAB9AMAPTCYP2A6
SCHEMBL2773738 0.80 S1PR1 (0.57) S1PR1NPC1RAB9AMAPTCYP2A6
SCHEMBL2774286 0.78 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL2839980 0.78 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL2841671 0.78 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL2774025 0.78 S1PR1 (0.74) S1PR1NPC1RAB9AMAPTALDH1A1
SCHEMBL2774348 0.77 S1PR1 (0.63) S1PR1NPC1RAB9AMAPTS1PR3
SCHEMBL3766503 0.77 S1PR1 (1.00) S1PR1NPC1RAB9ATP53ALDH1A1

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 483/4885NPC1 4814/4885RAB9A 2090/4885

“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.