SCHEMBL6674427

SCHEMBL6674427

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 5/20 0.55
MAPT P10636 5/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 6/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
PLAU P00749 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL7540240 0.87 ALDH3A1 (0.52) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL7536287 0.86 ALDH3A1 (0.65) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL6680390 0.85 ALDH1A1 (0.53) ALDH3A1SMN1; SMN2TDP1MAPTHTT
SCHEMBL6679357 0.84 ALDH1A1 (0.53) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL7534285 0.84 ALDH3A1 (0.63) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL7540532 0.82 ALDH3A1 (0.62) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL6676324 0.81 ALDH1A1 (0.58) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL6675634 0.81 ALDH1A1 (0.60) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL7573187 0.80 ALDH1A1 (0.66) ALDH3A1SMN1; SMN2HPGDTDP1MAPT
SCHEMBL28702766 0.80 PGR (0.60) ALDH3A1SMN1; SMN2HPGDTDP1MAPT

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
EP-1005453-B1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE LOWERING AGENTS TULARIK INC (US) 2004-10-27 EP 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 ALDH3A1 3070/4885SMN1; SMN2 4446/4885HPGD 1932/4885

“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.