SCHEMBL7534906

SCHEMBL7534906

COc1ccc(S(=O)(=O)c2c(F)c(F)c(Br)c(F)c2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.58
RAPGEF4 Q8WZA2 1/20 0.53
GAA P10253 1/20 0.50
HSD11B1 P28845 1/20 0.44
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
HTT P42858 1/20 0.41
PKLR P30613 2/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41

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
SCHEMBL7566858 0.97 PKM (0.55) PKMRAPGEF4GAAHSD11B1F2
SCHEMBL12434593 0.91 PKM (0.69) PKMRAPGEF4GAAHSD11B1F2
SCHEMBL7533090 0.90 PKM (0.67) PKMRAPGEF4GAAHSD11B1F2
SCHEMBL7535730 0.83 PKM (0.58) PKMRAPGEF4GAAHSD11B1F2
SCHEMBL7536232 0.80 PKM (0.58) PKMRAPGEF4GAAHSD11B1F2
SCHEMBL7540089 0.80 MAPK1 (0.62) PKMHTTCA12FFAR4ALDH1A1
SCHEMBL7536209 0.80 PKM (0.53) PKMRAPGEF4GAAHSD11B1F2
SCHEMBL7535746 0.78 PKM (0.51) PKMRAPGEF4GAAHSD11B1MMP2
SCHEMBL7533758 0.78 MEP1B (0.50) HTTRAB9A
SCHEMBL7533628 0.78 PKM (0.51) PKMRAPGEF4GAAHSD11B1MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed

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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 PKM 3140/4885RAPGEF4 4548/4885GAA 1364/4885

“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.