SCHEMBL772801

SCHEMBL772801

FC(F)(F)c1cccc(-c2nc(-c3cnn(C4CCCCC4)c3-c3ccccc3)no2)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.63
PLAT P00750 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX15 P16050 1/20 0.45
S1PR5 Q9H228 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 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
SCHEMBL773719 0.86 S1PR1 (0.70) S1PR1S1PR5NR1H4
SCHEMBL772243 0.86 S1PR1 (0.64) S1PR1PLATNPC1RAB9ANR1H4
SCHEMBL772722 0.81 S1PR1 (0.58) S1PR1
SCHEMBL771681 0.81 S1PR1 (0.78) S1PR1NPC1RAB9A
SCHEMBL775266 0.81 S1PR1 (0.63) S1PR1NPC1RAB9AMAPT
SCHEMBL798224 0.80 S1PR1 (0.73) S1PR1
SCHEMBL772903 0.79 S1PR1 (0.92) S1PR1
SCHEMBL798222 0.79 S1PR1 (0.81) S1PR1PLATNPC1RAB9A
SCHEMBL13048673 0.78 S1PR1 (0.76) S1PR1NPC1RAB9A
SCHEMBL772301 0.77 S1PR1 (0.55) S1PR1PLATNPC1RAB9AALOX15

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-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
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

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 2031/4885NPC1 734/4885

“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.