SCHEMBL6681317

SCHEMBL6681317

CN(C)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.59
▸ POLB P06746 1/20 0.59
▸ ALDH3A1 P30838 2/20 0.53
▸ MAPK1 P28482 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 4/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ GFER P55789 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL6675634 0.85 ALDH1A1 (0.60) ALDH1A1POLBALDH3A1MAPK1KMT2A
SCHEMBL6674127 0.83 LMNA (0.62) ALDH1A1POLBMAPK1KMT2AMEN1
SCHEMBL6675545 0.81 ALDH1A1 (0.58) ALDH1A1POLBMAPK1KMT2AMEN1
SCHEMBL6680377 0.81 ALDH1A1 (0.58) ALDH1A1POLBALDH3A1MAPK1KMT2A
SCHEMBL6675298 0.81 ALDH1A1 (0.59) ALDH1A1POLBALDH3A1MAPK1KMT2A
SCHEMBL6674394 0.80 SLC22A12 (0.49) ALDH1A1MAPK1KMT2AMEN1LMNA
SCHEMBL7542193 0.80 POLB (0.48) ALDH1A1POLBMAPK1KMT2AMEN1
SCHEMBL12067872 0.80 VCAM1 (0.57) ALDH1A1POLBALDH3A1LMNAMAPT
SCHEMBL6679980 0.79 ALDH1A1 (0.55) ALDH1A1POLBALDH3A1MAPK1KMT2A
SCHEMBL6674707 0.79 ALDH1A1 (0.55) ALDH1A1POLBALDH3A1MAPK1KMT2A

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 638/4885ALDH3A1 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.

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