SCHEMBL7533072

SCHEMBL7533072

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
BACE1 P56817 2/20 0.47
VCAM1 P19320 1/20 0.46
ALDH1A1 P00352 7/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
PTGS1 P23219 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL7540386 0.88 VCAM1 (0.66) POLBTSHRMAPK1BACE1VCAM1
SCHEMBL7540247 0.83 ALDH1A1 (0.48) POLBTSHRMAPK1BACE1ALDH1A1
SCHEMBL7534384 0.83 VCAM1 (0.58) POLBTSHRMAPK1VCAM1ALDH1A1
SCHEMBL7534716 0.82 ALDH1A1 (0.63) POLBTSHRMAPK1ALDH1A1LMNA
SCHEMBL7540171 0.81 PTPN1 (0.45) POLBTSHRMAPK1BACE1VCAM1
SCHEMBL7534762 0.80 L3MBTL1 (0.58) POLBMAPK1ALDH1A1LMNAHPGD
SCHEMBL7540163 0.80 MAPT (0.48) POLBMAPK1ALDH1A1LMNAHPGD
SCHEMBL7536269 0.79 PKM (0.61) POLBMAPK1VCAM1ALDH1A1LMNA
SCHEMBL11244365 0.77 ALDH1A1 (0.58) POLBMAPK1ALDH1A1HPGDTUBB4A
SCHEMBL8973591 0.77 ALDH1A1 (0.61) POLBTSHRMAPK1ALDH1A1HPGD

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 POLB 638/4885TSHR 4093/4885MAPK1 263/4885

“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.