SCHEMBL12557334

SCHEMBL12557334

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.42
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ IDO1 P14902 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SPHK2 Q9NRA0 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34

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
SCHEMBL12557313 0.88 S1PR1 (0.44) S1PR1MAOBMAOAEPHX2IDO1
SCHEMBL12557282 0.88 S1PR1 (0.44) S1PR1MAOBMAOAEPHX2IDO1
SCHEMBL12557285 0.87 S1PR1 (0.43) S1PR1MAOBMAOAEPHX2ROCK2
SCHEMBL12557335 0.82 S1PR1 (0.41) S1PR1MAOBMAOAEPHX2IDO1
SCHEMBL12557405 0.80 S1PR1 (0.39) S1PR1PPARGPPARAS1PR3
SCHEMBL12590867 0.79 MAOB (0.38) S1PR1MAOBMAOAEPHX2IDO1
SCHEMBL12557320 0.79 MAOB (0.38) S1PR1MAOBMAOAEPHX2IDO1
SCHEMBL12557338 0.79 S1PR1 (0.42) S1PR1MAOBMAOAEPHX2PPARG
SCHEMBL12557336 0.79 S1PR1 (0.42) S1PR1MAOBMAOAEPHX2PPARG
SCHEMBL12557319 0.79 MAOB (0.39) S1PR1MAOBMAOAEPHX2IDO1

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.

Send feedback