SCHEMBL7536209

SCHEMBL7536209

COc1ccc(S(=O)(=O)c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
RAPGEF4 Q8WZA2 1/20 0.49
GAA P10253 2/20 0.46
NPY1R P25929 1/20 0.44
CYP19A1 P11511 1/20 0.42
HSD11B1 P28845 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALDH3A1 P30838 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL12434593 0.87 PKM (0.69) PKMRAPGEF4GAAHSD11B1AKR1B1
SCHEMBL7533090 0.85 PKM (0.67) PKMRAPGEF4GAAHSD11B1AKR1B1
SCHEMBL7542288 0.82 PKM (0.43) PKMRAPGEF4GAANPY1RHSD11B1
SCHEMBL7536227 0.80 KMT2A (0.45) CYP19A1ALDH1A1POLB
SCHEMBL7534263 0.80 ALDH1A1 (0.51) PKMGAACYP19A1ALDH1A1LMNA
SCHEMBL7534906 0.80 PKM (0.58) PKMRAPGEF4GAAHSD11B1AKR1B1
SCHEMBL7535730 0.80 PKM (0.58) PKMRAPGEF4GAAHSD11B1AKR1B1
SCHEMBL7536222 0.78 ALDH1A1 (0.43) ALDH1A1LMNAPOLBHTT
SCHEMBL7566858 0.77 PKM (0.55) PKMRAPGEF4GAAHSD11B1AKR1B1
SCHEMBL7536232 0.76 PKM (0.58) PKMRAPGEF4GAAHSD11B1AKR1B1

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.