SCHEMBL405570

SCHEMBL405570

CCc1ccccc1-c1ccc(-c2nc(-c3cccc(CNCCC(=O)O)c3)no2)cc1COC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.57
S1PR3 Q99500 4/20 0.57
S1PR5 Q9H228 1/20 0.46
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPY2R P49146 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2806790 0.93 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL10247164 0.88 S1PR1 (0.57) S1PR1S1PR3KDM4EMEN1USP2
SCHEMBL10247343 0.88 S1PR1 (0.52) S1PR1S1PR3S1PR5KDM4EHSD17B10
SCHEMBL410228 0.86 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL2805596 0.86 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL19339805 0.85 S1PR1 (0.67) S1PR1S1PR3S1PR5KDM4EMEN1
SCHEMBL2805557 0.83 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL2773207 0.83 S1PR1 (0.58) S1PR1S1PR3PDCD1CD274
SCHEMBL2806714 0.82 S1PR1 (0.62) S1PR1S1PR3PDCD1CD274
SCHEMBL410555 0.82 S1PR1 (0.66) S1PR1S1PR3KMT2A

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 310/4885S1PR5 349/4885

“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.