SCHEMBL408040

SCHEMBL408040

Cc1ccccc1-c1ccc(-c2nc(-c3cccc(S(C)(=O)=O)c3)no2)cc1CN(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.61
S1PR3 Q99500 4/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2803901 0.88 S1PR1 (0.67) S1PR1S1PR3CA12CA1CA2
SCHEMBL19339656 0.82 S1PR1 (0.64) S1PR1S1PR3NR1H4
SCHEMBL19339941 0.81 S1PR1 (0.64) S1PR1S1PR3NR1H4
SCHEMBL2806803 0.79 S1PR1 (0.66) S1PR1S1PR3CA12CA1CA2
SCHEMBL2803637 0.78 S1PR1 (0.73) S1PR1S1PR3NR1H4
SCHEMBL2417621 0.76 S1PR1 (1.00) S1PR1S1PR3RAB9A
SCHEMBL12277830 0.76 S1PR1 (0.86) S1PR1S1PR3NR1H4RAB9A
SCHEMBL2813909 0.72 S1PR1 (1.00) S1PR1S1PR3RAB9A
SCHEMBL14926437 0.71 S1PR1 (0.70) S1PR1NR1H4RAB9AKMT2A
SCHEMBL2774065 0.71 S1PR1 (0.68) S1PR1S1PR3NR1H4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
EP-2241558-A1 Oxadiazole derivatives Merck Serono SA (CH) 2010-10-20 EP disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885CA12 3170/4885

“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.