SCHEMBL12557405

SCHEMBL12557405

COC(=O)NOc1cc(/C(C)=N/OCc2cccc(C(F)(F)F)c2F)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.39
▸ S1PR3 Q99500 8/20 0.38
▸ PPARG P37231 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ CD38 P28907 1/20 0.35

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
SCHEMBL12557282 0.92 S1PR1 (0.44) S1PR1S1PR3PPARGPPARA
SCHEMBL12557416 0.89 PPARG (0.40) S1PR1PPARGPPARA
SCHEMBL12590295 0.87 PPARG (0.38) S1PR1S1PR3PPARGPPARA
SCHEMBL12557409 0.86 S1PR1 (0.43) S1PR1S1PR3PPARGPPARA
SCHEMBL12557313 0.84 S1PR1 (0.44) S1PR1S1PR3PPARGPPARA
SCHEMBL12557400 0.83 PPARG (0.41) S1PR1PPARGPPARA
SCHEMBL12557412 0.83 PPARG (0.45) S1PR1PPARGPPARA
SCHEMBL12557285 0.81 S1PR1 (0.43) S1PR1S1PR3PPARGPPARA
SCHEMBL12557401 0.81 MAOB (0.45) S1PR1S1PR3PPARGPPARAMRGPRX4
SCHEMBL12557334 0.80 S1PR1 (0.42) S1PR1S1PR3PPARGPPARA

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 1178/4885S1PR3 726/4885PPARG 2729/4885

“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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