SCHEMBL799371

SCHEMBL799371

Cc1cc(CS(=O)(=O)NCCC[N+](C)(C)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
TRPV4 Q9HBA0 1/20 0.33
GALR3 O60755 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.31
NOS2 P35228 1/20 0.31
CYP19A1 P11511 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
SCHEMBL12626816 0.92 POLB (0.34) TRPV4GALR3POLBMAPTPPARG
SCHEMBL799082 0.83 FABP4 (0.34) NOS1NOS3TRPV4PPARG
SCHEMBL799312 0.80 CA12 (0.44) NOS1NOS3MAPTNOS2
SCHEMBL799313 0.79
SCHEMBL12626812 0.76 POLB (0.41) POLBMAPTCYP19A1
SCHEMBL12626821 0.75 RXRA (0.36)
SCHEMBL14444709 0.75 USP2 (0.33) GALR3
SCHEMBL804895 0.71 GAA (0.43) MAPT
SCHEMBL12626853 0.71 CYP3A4 (0.32)
SCHEMBL798902 0.70 PPARG (0.36) NOS1NOS3MAPTPPARG

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-8318656-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-27 US disclosed
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 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-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 NOS1 3778/4885NOS3 2156/4885TRPV4 1351/4885

“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.