SCHEMBL2809619

SCHEMBL2809619

CC1CCCCN1c1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.67
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL13187306 0.85 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL2806750 0.83 S1PR1 (0.71) S1PR1TP53POLBCA12CA1
SCHEMBL27828743 0.83 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL27851610 0.81 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL2774195 0.81 S1PR1 (0.67) S1PR1TP53POLB
SCHEMBL2787960 0.81 S1PR1 (0.67) S1PR1TP53POLB
SCHEMBL13187637 0.80 S1PR1 (0.64) S1PR1TP53POLB
SCHEMBL9968891 0.80 S1PR1 (0.66) S1PR1TP53POLB
SCHEMBL10246640 0.80 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL27919264 0.79 S1PR1 (0.60) S1PR1TP53POLB

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 483/4885TP53 2578/4885POLB 1303/4885

“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.