SCHEMBL7540171

SCHEMBL7540171

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
POLB P06746 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.41
MITF O75030 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
VCAM1 P19320 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH3A1 P30838 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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 0.89 VCAM1 (0.47) PTPN1POLBTSHRMAPK1ALDH1A1
SCHEMBL7542283 0.87 PTPN1 (0.54) PTPN1POLBTSHRMAPK1ALDH1A1
SCHEMBL7540050 0.85 ALDH1A1 (0.59) POLBTSHRMAPK1ALDH1A1MAPT
SCHEMBL7533072 0.81 POLB (0.50) POLBTSHRMAPK1ALDH1A1MAPT
SCHEMBL7540386 0.81 VCAM1 (0.66) PTPN1POLBTSHRMAPK1ALDH1A1
SCHEMBL7540163 0.78 MAPT (0.48) PTPN1POLBMAPK1ALDH1A1MAPT
SCHEMBL7534000 0.77 TUBB1 (0.40) POLBTSHRMAPK1KMT2AMEN1
SCHEMBL7540056 0.77 ALDH1A1 (0.59) POLBTSHRMAPK1ALDH1A1MAPT
SCHEMBL7534402 0.76 ALDH1A1 (0.61) POLBMAPK1ALDH1A1MAPTKMT2A
SCHEMBL7540247 0.74 ALDH1A1 (0.48) POLBTSHRMAPK1ALDH1A1MAPT

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 376/4885POLB 638/4885TSHR 4093/4885

“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.