SCHEMBL799082

SCHEMBL799082

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.34
SYK P43405 3/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ACLY P53396 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
TACR1 P25103 4/20 0.31
ALDH1A1 P00352 1/20 0.31
TRPV4 Q9HBA0 2/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL12626821 0.93 RXRA (0.36) ACLYRXRARXRBRXRGTACR1
SCHEMBL14444709 0.84 USP2 (0.33) ACLYRXRARXRBRXRGTACR1
SCHEMBL799371 0.83 NOS1 (0.36) NOS3NOS1TRPV4PPARG
SCHEMBL799312 0.76 CA12 (0.44) NOS3NOS1ALDH1A1
SCHEMBL12626816 0.75 POLB (0.34) ACLYTACR1ALDH1A1TRPV4PPARG
SCHEMBL14338373 0.71 BBOX1 (0.31)
SCHEMBL799393 0.69
SCHEMBL12626789 0.69
SCHEMBL799485 0.69
SCHEMBL19169909 0.68 BBOX1 (0.37) FABP4ALDH1A1

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 FABP4 23/4885SYK 3031/4885NOS3 2156/4885

“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.