SCHEMBL2773034

SCHEMBL2773034

COC(=O)c1ccc(-c2noc(-c3ccc(N4CCCCC4C)c(NC(C)=O)c3)n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.53
TP53 P04637 2/20 0.51
CPT1A P50416 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2774599 0.93 S1PR1 (0.53) S1PR1TP53CPT1APOLB
SCHEMBL2773873 0.92 S1PR1 (0.51) S1PR1TP53CPT1APOLB
SCHEMBL2770910 0.89 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL2772388 0.89 TP53 (0.53) S1PR1TP53POLB
SCHEMBL2772190 0.88 S1PR1 (0.58) S1PR1TP53POLB
SCHEMBL2771822 0.86 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL2774190 0.86 S1PR1 (0.64) S1PR1TP53POLB
SCHEMBL2773969 0.86 S1PR1 (0.56) S1PR1TP53POLB
SCHEMBL2807867 0.86 S1PR1 (0.52) S1PR1TP53POLB
SCHEMBL2773500 0.85 TP53 (0.71) S1PR1TP53POLBGAAMAPT

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 483/4885TP53 2578/4885CPT1A 2343/4885

“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.