SCHEMBL6680334

SCHEMBL6680334

Nc1ccc(NS(=O)(=O)c2cc(F)c(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 5/20 0.49
FFAR4 Q5NUL3 1/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
HTT P42858 1/20 0.49
CA9 Q16790 1/20 0.49
GAA P10253 1/20 0.47
KEAP1 Q14145 1/20 0.47
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
PRMT1 Q99873 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6679369 0.89 ALDH1A1 (0.58) ALDH1A1POLBKMT2AFFAR4CA1
SCHEMBL6680004 0.84 ALDH1A1 (0.58) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL6679980 0.84 ALDH1A1 (0.55) ALDH1A1POLBKMT2ACA9GAA
SCHEMBL11100512 0.83 FFAR4 (0.68) ALDH1A1POLBKMT2AFFAR4CA1
SCHEMBL6676090 0.79 LMNA (0.64) ALDH1A1POLBKMT2AHTTCA9
SCHEMBL6680387 0.79 ALDH1A1 (0.61) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL6674434 0.77 ALDH1A1 (0.60) ALDH1A1POLBKMT2AHTTGAA
SCHEMBL11209685 0.76 MAPT (0.67) ALDH1A1POLBKMT2AFFAR4CA2
SCHEMBL11094424 0.75 FFAR4 (0.82) ALDH1A1POLBKMT2AFFAR4CA1
SCHEMBL11094292 0.75 FFAR4 (0.81) ALDH1A1POLBKMT2AFFAR4CA1

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 7 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

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 1173/4885POLB 638/4885KMT2A 3154/4885

“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.