SCHEMBL799312

SCHEMBL799312

Cc1cc(CS(=O)(=O)NCCCN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NOS1 P29475 2/20 0.38
NOS2 P35228 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 1/20 0.37
SFRP1 Q8N474 1/20 0.37
CCR2 P41597 2/20 0.37
MAPT P10636 1/20 0.37
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
KCNH2 Q12809 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
SCHEMBL804895 0.92 GAA (0.43) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL799371 0.80 NOS1 (0.36) NOS1NOS2NOS3MAPT
SCHEMBL799079 0.80 CCR2 (0.37) GAANOS1NOS2NOS3CCR2
SCHEMBL10104415 0.76 TACR1 (0.45) NOS1NOS2NOS3CCR2KCNH2
SCHEMBL799082 0.76 FABP4 (0.34) ALDH1A1NOS1NOS3
SCHEMBL12626814 0.74 CA12 (0.56) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL10104287 0.74 KCNH2 (0.42) GAANOS1NOS2NOS3MAPT
SCHEMBL10169147 0.73 NOS1 (0.44) NOS1NOS2NOS3
SCHEMBL804896 0.71 CCR2 (0.43) ALDH1A1GAACCR2MAPT
SCHEMBL798902 0.71 PPARG (0.36) ALDH1A1NOS1NOS3MAPT

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 CA12 2399/4885CA2 1820/4885CA9 3510/4885

“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.