SCHEMBL2809472

SCHEMBL2809472

CCOC(=O)C1(NC(=O)c2ccc(-c3noc(-c4ccc(-c5ccccc5C)c(COC)c4)n3)cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.67
S1PR3 Q99500 2/20 0.67
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 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
SCHEMBL2805422 0.92 S1PR1 (0.72) S1PR1S1PR3RARARARBRARG
SCHEMBL2807940 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL13127535 0.85 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL411050 0.84 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL406882 0.84 S1PR1 (0.93) S1PR1S1PR3RARARARBRARG
SCHEMBL2809462 0.83 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL2806656 0.83 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL13084923 0.83 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL2805490 0.83 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL2805745 0.83 S1PR1 (0.76) 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 7 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

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.