SCHEMBL12557282

SCHEMBL12557282

COC(=O)NOc1cc(/C(C)=N/OCc2ccccc2C(F)(F)F)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.44
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ PPARG P37231 4/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL12557405 0.92 S1PR1 (0.39) S1PR1PPARGPPARAS1PR3
SCHEMBL12557313 0.90 S1PR1 (0.44) S1PR1MAOBMAOAPPARGPPARA
SCHEMBL12557285 0.90 S1PR1 (0.43) S1PR1MAOBMAOAPPARGPPARA
SCHEMBL12557409 0.89 S1PR1 (0.43) S1PR1PPARGPPARAEPHX2S1PR3
SCHEMBL12557334 0.88 S1PR1 (0.42) S1PR1MAOBMAOAPPARGPPARA
SCHEMBL12557400 0.88 PPARG (0.41) S1PR1PPARGPPARAEPHX2ROCK2
SCHEMBL12557412 0.87 PPARG (0.45) S1PR1PPARGPPARA
SCHEMBL12590295 0.86 PPARG (0.38) S1PR1PPARGPPARAS1PR3
SCHEMBL12557335 0.84 S1PR1 (0.41) S1PR1MAOBMAOAPPARGPPARA
SCHEMBL12557416 0.83 PPARG (0.40) S1PR1PPARGPPARA

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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 — — US disclosed
US-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 — — 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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE CBR3, CNPY2, NOX3 S1PR1 1178/4885MAOB 895/4885MAOA 702/4885

“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.

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