SCHEMBL7541187

SCHEMBL7541187

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP19A1 P11511 7/20 0.44
NR3C1 P04150 1/20 0.44
ALDH3A1 P30838 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
MMP1 P03956 1/20 0.43
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7535114 0.87 PTPN1 (0.46) VCAM1ALDH1A1ALDH3A1KMT2APOLB
SCHEMBL7534865 0.86 ALDH1A1 (0.55) ALDH1A1ALDH3A1KMT2APOLBMAPK1
SCHEMBL7535495 0.86 ALDH1A1 (0.58) VCAM1ALDH1A1KMT2APOLBMAPK1
SCHEMBL7540247 0.86 ALDH1A1 (0.48) ALDH1A1CYP19A1KMT2APOLBMAPK1
SCHEMBL7534384 0.83 VCAM1 (0.58) VCAM1ALDH1A1KMT2APOLBMAPK1
SCHEMBL7540492 0.83 VCAM1 (0.71) VCAM1ALDH1A1KMT2APOLBMAPK1
SCHEMBL7537195 0.83 ALDH3A1 (0.56) ALDH1A1CYP19A1ALDH3A1KMT2APOLB
SCHEMBL8026964 0.78 ABCC9 (0.57) VCAM1ALDH1A1CYP19A1KMT2APOLB
SCHEMBL7538266 0.76 ALDH1A1 (0.59) ALDH1A1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL30364534 0.76 ALDH1A1 (0.46) ALDH1A1CYP19A1KMT2APOLBMAPK1

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 51/4885ALDH1A1 1173/4885CYP19A1 145/4885

“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.