SCHEMBL7540428

SCHEMBL7540428

COc1ccc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
RAF1 P04049 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
GFER P55789 1/20 0.60
PAX8 Q06710 1/20 0.60
VCAM1 P19320 15/20 0.56
PKM P14618 2/20 0.56
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
BMP1 P13497 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL7536269 0.86 PKM (0.61) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL809482 0.86 VCAM1 (0.73) ALDH1A1VCAM1NPBWR1MCHR1
SCHEMBL29780388 0.86 VCAM1 (0.73) ALDH1A1VCAM1NPBWR1MCHR1
SCHEMBL10452716 0.86 VCAM1 (0.73) ALDH1A1VCAM1NPBWR1MCHR1
SCHEMBL11456478 0.86 ALPL (0.63) ALDH1A1LMNARAF1MAPTHPGD
SCHEMBL14553430 0.84 PKM (0.58) LMNAMAPTMAPK1VCAM1PKM
SCHEMBL12639368 0.83 VCAM1 (0.65) ALDH1A1MAPK1VCAM1NPBWR1MCHR1
SCHEMBL541479 0.82 ALDH1A1 (0.68) ALDH1A1LMNARAF1MAPTHPGD
SCHEMBL6677229 0.82 VCAM1 (0.60) ALDH1A1LMNARAF1MAPTHPGD
SCHEMBL7533291 0.82 TXNRD1 (0.58) ALDH1A1LMNARAF1MAPTHPGD

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 1173/4885LMNA 2006/4885RAF1 236/4885

“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.