SCHEMBL7535487

SCHEMBL7535487

COc1ccc(S(=O)(=O)c2ccc(OC(=O)C(F)(F)F)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
PTPN1 P18031 1/20 0.45
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.43
MEP1B Q16820 1/20 0.41
MAPT P10636 2/20 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
ALDH3A1 P30838 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 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
SCHEMBL7540171 0.89 PTPN1 (0.45) VCAM1PTPN1POLBTSHRMAPK1
SCHEMBL7542283 0.87 PTPN1 (0.54) VCAM1PTPN1POLBTSHRMAPK1
SCHEMBL7540056 0.85 ALDH1A1 (0.59) POLBTSHRMAPK1ALDH1A1MAPT
SCHEMBL7534384 0.81 VCAM1 (0.58) VCAM1PTPN1POLBTSHRMAPK1
SCHEMBL7540492 0.81 VCAM1 (0.71) VCAM1PTPN1POLBTSHRMAPK1
SCHEMBL7538200 0.78 MEP1B (0.46) POLBTSHRMAPK1MEP1BHTT
SCHEMBL7540050 0.77 ALDH1A1 (0.59) POLBTSHRMAPK1ALDH1A1MAPT
SCHEMBL7535114 0.76 PTPN1 (0.46) VCAM1PTPN1POLBMAPK1ALDH1A1
SCHEMBL7534402 0.76 ALDH1A1 (0.61) POLBMAPK1ALDH1A1MAPTALDH3A1
SCHEMBL7541187 0.74 VCAM1 (0.49) VCAM1POLBTSHRMAPK1ALDH1A1

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 VCAM1 51/4885PTPN1 376/4885POLB 638/4885

“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.