SCHEMBL6676324

SCHEMBL6676324

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
GAA P10253 2/20 0.58
ALDH3A1 P30838 1/20 0.58
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 2/20 0.56
PLAU P00749 2/20 0.55
PGR P06401 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 2/20 0.55
VCAM1 P19320 1/20 0.52
HTT P42858 1/20 0.52
CYP19A1 P11511 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL6680004 0.90 ALDH1A1 (0.58) ALDH1A1GAAALDH3A1POLBLMNA
SCHEMBL7540532 0.88 ALDH3A1 (0.62) ALDH1A1GAAALDH3A1POLBLMNA
SCHEMBL7573187 0.86 ALDH1A1 (0.66) ALDH1A1GAAALDH3A1POLBLMNA
SCHEMBL6680388 0.85 ALDH1A1 (0.61) ALDH1A1GAAPOLBLMNAMEN1
SCHEMBL6674669 0.85 LMNA (0.67) ALDH1A1GAAPOLBLMNAMEN1
SCHEMBL6677229 0.85 VCAM1 (0.60) ALDH1A1GAAALDH3A1POLBLMNA
SCHEMBL6680721 0.85 ALDH3A1 (0.58) ALDH1A1GAAALDH3A1POLBLMNA
SCHEMBL6679369 0.83 ALDH1A1 (0.58) ALDH1A1GAAPOLBLMNAMEN1
SCHEMBL7536287 0.82 ALDH3A1 (0.65) ALDH1A1GAAALDH3A1POLBLMNA
SCHEMBL7534749 0.82 VCAM1 (0.73) ALDH1A1GAAALDH3A1POLBLMNA

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 ALDH1A1 1173/4885GAA 1364/4885ALDH3A1 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.