SCHEMBL7534749

SCHEMBL7534749

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.73
PKM P14618 3/20 0.56
LMNA P02545 5/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH3A1 P30838 1/20 0.48
PTPN1 P18031 1/20 0.48
HIF1A Q16665 1/20 0.46
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
HSD11B1 P28845 1/20 0.43
POLB P06746 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43

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
SCHEMBL7536269 0.86 PKM (0.61) VCAM1PKMLMNAGAAMAPT
SCHEMBL133996 0.86 VCAM1 (1.00) VCAM1LMNAGAAMAPTALDH1A1
SCHEMBL6417727 0.86 VCAM1 (1.00) VCAM1LMNAGAAMAPTALDH1A1
SCHEMBL29510874 0.86 VCAM1 (1.00) VCAM1LMNAGAAMAPTALDH1A1
SCHEMBL7540492 0.84 VCAM1 (0.71) VCAM1PKMLMNAGAAMAPT
SCHEMBL14553430 0.84 PKM (0.58) VCAM1PKMLMNAGAAMAPT
SCHEMBL29744326 0.82 ALDH1A1 (0.56) VCAM1PKMMAPTALDH1A1HTT
SCHEMBL3192746 0.82 ALDH1A1 (0.56) VCAM1PKMMAPTALDH1A1HTT
SCHEMBL7540192 0.82 TXNRD1 (0.55) VCAM1PKMLMNAGAAMAPT
SCHEMBL6676324 0.82 ALDH1A1 (0.58) VCAM1PKMLMNAGAAMAPT

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
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 VCAM1 51/4885PKM 3140/4885LMNA 2006/4885

“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.