SCHEMBL7534384

SCHEMBL7534384

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.58
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.44
PTPN1 P18031 1/20 0.44
PTGS2 P35354 5/20 0.44
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
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 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
SCHEMBL7540492 0.91 VCAM1 (0.71) VCAM1POLBTSHRMAPK1ALDH1A1
SCHEMBL7541187 0.83 VCAM1 (0.49) VCAM1POLBTSHRMAPK1ALDH1A1
SCHEMBL7533072 0.83 POLB (0.50) VCAM1POLBTSHRMAPK1ALDH1A1
SCHEMBL7541541 0.82 ALDH1A1 (0.61) POLBTSHRMAPK1ALDH1A1KMT2A
SCHEMBL7535487 0.81 VCAM1 (0.47) VCAM1POLBTSHRMAPK1ALDH1A1
SCHEMBL7535114 0.81 PTPN1 (0.46) VCAM1POLBMAPK1ALDH1A1KMT2A
SCHEMBL7535495 0.80 ALDH1A1 (0.58) VCAM1POLBMAPK1ALDH1A1KMT2A
SCHEMBL7540386 0.80 VCAM1 (0.66) VCAM1POLBTSHRMAPK1ALDH1A1
SCHEMBL7536269 0.79 PKM (0.61) VCAM1POLBMAPK1ALDH1A1PTPN1
SCHEMBL7536292 0.79 TUBB1 (0.60) POLBTSHRMAPK1KMT2APTGS2

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 51/4885POLB 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.