SCHEMBL7534263

SCHEMBL7534263

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
PGR P06401 1/20 0.47
PLAU P00749 1/20 0.45
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GFER P55789 1/20 0.44
CYP19A1 P11511 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6087565 0.85 ALDH1A1 (0.62) ALDH1A1GAAMAPK1LMNACA1
SCHEMBL7535500 0.85 ALDH1A1 (0.43) ALDH1A1GAAMAPK1LMNATRPM8
SCHEMBL8104251 0.84 ALDH1A1 (0.60) ALDH1A1GAAMAPK1LMNACA1
SCHEMBL7540510 0.83 LMNA (0.57) ALDH1A1MAPK1LMNATRPM8MAPT
SCHEMBL7533872 0.82 LMNA (0.49) ALDH1A1LMNATRPM8CA1CA2
SCHEMBL7535521 0.81 MAPT (0.50) ALDH1A1GAAMAPK1LMNACA1
SCHEMBL7535790 0.80 L3MBTL1 (0.45) ALDH1A1MAPK1LMNATRPM8CA1
SCHEMBL6676861 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPK1LMNACA1
SCHEMBL7536209 0.80 PKM (0.53) ALDH1A1GAALMNACA1CA2
SCHEMBL6673947 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPK1LMNACA1

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 ALDH1A1 1173/4885GAA 1364/4885MAPK1 263/4885

“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.