SCHEMBL772301

SCHEMBL772301

FC(F)(F)c1cccc(-c2noc(-c3cnn(C4CCCCC4)c3C3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.55
PLAT P00750 2/20 0.49
PIM1 P11309 2/20 0.45
ALOX15 P16050 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PIM2 Q9P1W9 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL773526 0.81 S1PR1 (0.58) S1PR1PLATPIM1ALOX15S1PR5
SCHEMBL772243 0.81 S1PR1 (0.64) S1PR1PLATNPC1RAB9ANR1H4
SCHEMBL774084 0.78 S1PR1 (0.61) S1PR1PLATNR1H4NPSR1
SCHEMBL772210 0.77 S1PR1 (0.75) S1PR1
SCHEMBL774703 0.77 S1PR1 (0.67) S1PR1
SCHEMBL772801 0.77 S1PR1 (0.63) S1PR1PLATALOX15S1PR5NPC1
SCHEMBL774695 0.77 S1PR1 (0.66) S1PR1PLAT
SCHEMBL798114 0.76 S1PR1 (0.64) S1PR1PLAT
SCHEMBL773731 0.76 S1PR1 (0.73) S1PR1
SCHEMBL803889 0.73 PLAT (0.45) S1PR1PLATPIM1ALOX15S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-2440554-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS Merck Serono S.A. (CH) 2012-04-18 EP disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 WO disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885PLAT 2031/4885PIM1 1486/4885

“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.