SCHEMBL6677229

SCHEMBL6677229

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.60
PGR P06401 1/20 0.59
ALDH3A1 P30838 1/20 0.58
ALDH1A1 P00352 6/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PLAU P00749 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 2/20 0.55
GAA P10253 1/20 0.55
RAF1 P04049 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
DNMT1 P26358 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.54

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
SCHEMBL7540532 0.88 ALDH3A1 (0.62) PGRALDH3A1ALDH1A1POLBLMNA
SCHEMBL28746841 0.86 ALDH1A1 (0.60) VCAM1ALDH1A1POLBLMNAHPGD
SCHEMBL7573187 0.86 ALDH1A1 (0.66) ALDH3A1ALDH1A1POLBLMNAMAPT
SCHEMBL5228187 0.85 VCAM1 (0.64) VCAM1LMNAMAPTMEN1KMT2A
SCHEMBL6678848 0.85 LMNA (0.67) VCAM1ALDH1A1POLBLMNAMAPT
SCHEMBL6676324 0.85 ALDH1A1 (0.58) VCAM1PGRALDH3A1ALDH1A1POLB
SCHEMBL6680721 0.85 ALDH3A1 (0.58) PGRALDH3A1ALDH1A1POLBLMNA
SCHEMBL27793353 0.84 VCAM1 (0.54) VCAM1ALDH3A1ALDH1A1POLBLMNA
SCHEMBL17843843 0.83 DNMT1 (0.56) VCAM1ALDH3A1ALDH1A1POLBLMNA
SCHEMBL810667 0.83 MAPT (0.64) VCAM1PGRALDH1A1POLBLMNA

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 9 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
EP-1005453-B1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE LOWERING AGENTS TULARIK INC (US) 2004-10-27 EP disclosed
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 VCAM1 51/4885PGR 388/4885ALDH3A1 3070/4885

“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.