SCHEMBL798114

SCHEMBL798114

Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCC4)c3C3CCOCC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.64
PLAT P00750 3/20 0.40
MAPK8 P45983 1/20 0.39
MAPK14 Q16539 1/20 0.39
GRM5 P41594 1/20 0.38
ACKR3 P25106 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL774695 0.99 S1PR1 (0.66) S1PR1PLATMAPK8MAPK14GRM5
SCHEMBL775034 0.81 S1PR1 (0.71) S1PR1GRM5ACKR3KCNH2
SCHEMBL772177 0.81 S1PR1 (0.64) S1PR1PLAT
SCHEMBL773839 0.79 S1PR1 (0.84) S1PR1
SCHEMBL798111 0.78 S1PR1 (1.00) S1PR1
SCHEMBL772589 0.78 S1PR1 (0.98) S1PR1
SCHEMBL772705 0.77 S1PR1 (1.00) S1PR1
SCHEMBL774682 0.77 S1PR1 (0.65) S1PR1
SCHEMBL772301 0.76 S1PR1 (0.55) S1PR1PLAT
SCHEMBL771248 0.76 S1PR1 (0.94) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2031/4885MAPK8 2649/4885

“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.