SCHEMBL4361657

SCHEMBL4361657

CCN1c2ccccc2SC1OP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCHE P06276 1/20 0.30

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
SCHEMBL28149247 0.72 ALDH1A1 (0.35) GAAALDH1A1SMN1; SMN2BCHE
SCHEMBL8342783 0.72 ALDH1A1 (0.35) GAAALDH1A1SMN1; SMN2BCHE
SCHEMBL8635961 0.69 SMN1; SMN2 (0.33) GAAALDH1A1SMN1; SMN2BCHE
SCHEMBL1046284 0.65 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2BCHE
SCHEMBL30702419 0.65 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2BCHE
SCHEMBL9004674 0.65 VDR (0.38) GAAALDH1A1SMN1; SMN2BCHE
SCHEMBL28250648 0.65 ALDH1A1 (0.38) GAAALDH1A1SMN1; SMN2BCHE
SCHEMBL26858967 0.65 PPARG (0.36) ALDH1A1SMN1; SMN2BCHE
SCHEMBL378842 0.64 GSK3B (0.38) GAAALDH1A1SMN1; SMN2BCHE
SCHEMBL29366806 0.64 GSK3B (0.38) GAAALDH1A1SMN1; SMN2BCHE

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-7576242-B2 N-Ethylpyridinium bis(pentafluoroethyl)phosphinate; reacting tris(perfluoroalkyl)phosphine oxide is reacted with an alcohol and an organic base; ionic liquids MERCK PATENT GMBH (DE) 2009-08-18 — — US disclosed
US-20070128515-A1 Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions MERCK PATENT GMBH (DE) 2007-06-07 — — 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-20070128515-A1 Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions PHOSPHO1, PFAS, PFKFB1 GAA 4751/4885ALDH1A1 1861/4885SMN1; SMN2 4516/4885

“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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