SCHEMBL7542283

SCHEMBL7542283

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
ALDH3A1 P30838 2/20 0.46
PKM P14618 2/20 0.44
HSD11B1 P28845 1/20 0.44
GAA P10253 1/20 0.43
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
ALDH1A1 P00352 2/20 0.42
VCAM1 P19320 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 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
SCHEMBL7535487 0.87 VCAM1 (0.47) PTPN1ALDH3A1PKMGAAABCC9
SCHEMBL7540171 0.87 PTPN1 (0.45) PTPN1ALDH3A1PKMGAAABCC9
SCHEMBL7534402 0.86 ALDH1A1 (0.61) ALDH3A1ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL4615874 0.78 PKM (0.51) PTPN1ALDH3A1PKMHSD11B1GAA
SCHEMBL8060693 0.77 MMP2 (0.43) PKMHSD11B1SMN1; SMN2ELANEKMT2A
SCHEMBL7536269 0.77 PKM (0.61) PTPN1ALDH3A1PKMGAAALDH1A1
SCHEMBL7534749 0.76 VCAM1 (0.73) PTPN1ALDH3A1PKMHSD11B1GAA
SCHEMBL7540050 0.76 ALDH1A1 (0.59) ALDH3A1PKMGAAALDH1A1SMN1; SMN2
SCHEMBL7540056 0.76 ALDH1A1 (0.59) PKMGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL14553430 0.74 PKM (0.58) PTPN1ALDH3A1PKMHSD11B1GAA

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 PTPN1 376/4885ALDH3A1 3070/4885PKM 3140/4885

“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.