SCHEMBL2809563

SCHEMBL2809563

COc1cc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)ccc1-c1cscc1C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.66
CA2 P00918 12/20 0.61
CA9 Q16790 12/20 0.61
CA12 O43570 7/20 0.61
CA1 P00915 7/20 0.61
CA4 P22748 1/20 0.52

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
SCHEMBL3765340 0.80 S1PR1 (1.00) S1PR1
SCHEMBL2809248 0.77 S1PR1 (0.66) S1PR1
SCHEMBL2421742 0.76 S1PR1 (1.00) S1PR1
SCHEMBL2774348 0.76 S1PR1 (0.63) S1PR1
SCHEMBL2803658 0.75 CA9 (0.64) S1PR1CA2CA9CA12CA1
SCHEMBL13417241 0.75 S1PR1 (1.00) S1PR1CA2CA9CA12CA1
SCHEMBL3766598 0.75 S1PR1 (0.84) S1PR1
SCHEMBL3766503 0.73 S1PR1 (1.00) S1PR1
SCHEMBL13417244 0.69 S1PR1 (1.00) S1PR1CA2CA9CA12CA1
SCHEMBL3763969 0.69 S1PR1 (1.00) S1PR1

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 483/4885CA2 2987/4885CA9 3283/4885

“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.