SCHEMBL798902

SCHEMBL798902

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
IDH1 O75874 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.35
IDO1 P14902 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
DAO P14920 1/20 0.34
NOTUM Q6P988 1/20 0.34
GRIN2B Q13224 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL773148 0.87 IDO1 (0.44) PPARGIDO1DAOKIF11CYP2D6
SCHEMBL8350393 0.81 PGK1 (0.35) IDH1MAPTRAPGEF4PGK1PGK2
SCHEMBL271423 0.81 GAA (0.36) PPARGMAPTIDO1RAPGEF4NOTUM
SCHEMBL14570493 0.77 IDO1 (0.43) PPARGIDH1IDO1RAPGEF4DAO
SCHEMBL16767879 0.75 GRIN2B (0.44) PPARGIDH1IDO1RAPGEF4DAO
SCHEMBL68245 0.74 AKR1B1 (0.52) MAPTIDO1DAOCYP1A2CYP3A4
SCHEMBL806121 0.74 IDO1 (0.41) IDH1IDO1RAPGEF4DAONOTUM
SCHEMBL799008 0.74 IDO1 (0.41) IDH1MAPTIDO1RAPGEF4DAO
SCHEMBL10494294 0.73 GLA (0.39) PPARGIDH1CYP2D6
SCHEMBL23536705 0.73 IDH1 (0.39) IDH1BCHEACHEMAPTIDO1

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 PPARG 938/4885IDH1 1686/4885BCHE 3656/4885

“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.