SCHEMBL7540163

SCHEMBL7540163

COc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 3/20 0.45
GAA P10253 2/20 0.45
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB1 P08183 1/20 0.43
ALDH3A1 P30838 2/20 0.42
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CA2 P00918 2/20 0.40

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
SCHEMBL7535114 0.88 PTPN1 (0.46) MAPTKMT2AMEN1PTPN1ALDH1A1
SCHEMBL6679357 0.88 ALDH1A1 (0.53) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7540247 0.86 ALDH1A1 (0.48) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7540240 0.84 ALDH3A1 (0.52) MAPTKMT2AMEN1PTPN1ALDH1A1
SCHEMBL7534762 0.83 L3MBTL1 (0.58) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7533072 0.80 POLB (0.50) MAPTKMT2AALDH1A1POLBGAA
SCHEMBL7540386 0.79 VCAM1 (0.66) MAPTKMT2AMEN1PTPN1ALDH1A1
SCHEMBL6680390 0.78 ALDH1A1 (0.53) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7540171 0.78 PTPN1 (0.45) MAPTKMT2AMEN1PTPN1ALDH1A1
SCHEMBL7541187 0.75 VCAM1 (0.49) MAPTKMT2AMEN1ALDH1A1POLB

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 3 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

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 MAPT 2283/4885KMT2A 3154/4885MEN1 2231/4885

“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.