SCHEMBL7533291

SCHEMBL7533291

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.58
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
RAF1 P04049 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
BMP1 P13497 1/20 0.53
VCAM1 P19320 13/20 0.51
PTPN1 P18031 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 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
SCHEMBL7540192 0.85 TXNRD1 (0.55) TXNRD1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7540268 0.83 VCAM1 (0.58) TXNRD1ALDH1A1VCAM1
SCHEMBL30205490 0.82 ALDH1A1 (0.54) TXNRD1ALDH1A1LMNAMAPTMAPK1
SCHEMBL10384031 0.82 VCAM1 (0.65) TXNRD1ALDH1A1MAPK1VCAM1
SCHEMBL7540428 0.82 ALDH1A1 (0.60) ALDH1A1LMNARAF1MAPTHPGD
SCHEMBL7536581 0.82 VCAM1 (0.57) ALDH1A1MAPTVCAM1
SCHEMBL11456478 0.80 ALPL (0.63) ALDH1A1LMNARAF1MAPTHPGD
SCHEMBL810695 0.77 MAPT (0.58) ALDH1A1LMNARAF1MAPTHPGD
SCHEMBL3209835 0.77 VCAM1 (0.68) ALDH1A1VCAM1
SCHEMBL541479 0.77 ALDH1A1 (0.68) 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 8 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
US-6388131-B2 Benzenesulfonamide compounds, which encompasses the compound batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene) TULARIK, INC. 2002-05-14 US disclosed
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US disclosed
US-6284923-B1 BENZENESULFONIMIDES FOR TREATMENT OF CANCER AND ANTICHOLESTEROL AGENTS TULARIK INC 2001-09-04 US disclosed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP disclosed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO 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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 TXNRD1 596/4885ALDH1A1 1173/4885LMNA 2006/4885

“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.