SCHEMBL6674434

SCHEMBL6674434

COc1ccc(NS(=O)(=O)c2cc(F)c(F)c([N+](=O)[O-])c2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 6/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47
AGTR1 P30556 1/20 0.44
KIT P10721 1/20 0.44
ALOX15 P16050 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
SCHEMBL6674654 0.91 ALDH1A1 (0.59) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL6680387 0.90 ALDH1A1 (0.61) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL6676090 0.90 LMNA (0.64) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL7534716 0.88 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL6676342 0.87 LMNA (0.54) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL6675569 0.84 ALDH1A1 (0.59) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL6681330 0.84 ALDH1A1 (0.59) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL6675298 0.84 ALDH1A1 (0.59) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL6680004 0.83 ALDH1A1 (0.58) ALDH1A1POLBMEN1KMT2AMAPK1
SCHEMBL7540075 0.83 ALDH1A1 (0.57) ALDH1A1POLBL3MBTL1MEN1KMT2A

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 1173/4885POLB 638/4885L3MBTL1 1938/4885

“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.