SCHEMBL7533985

SCHEMBL7533985

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
TXNRD1 Q16881 5/20 0.44
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL7535509 0.90 VCAM1 (0.47) VCAM1MEN1KMT2ARAB9ATXNRD1
SCHEMBL7540192 0.85 TXNRD1 (0.55) VCAM1MEN1KMT2ARAB9ATXNRD1
SCHEMBL7540492 0.82 VCAM1 (0.71) VCAM1KMT2ANPSR1MAPTALDH1A1
SCHEMBL7537002 0.78 SLC22A12 (0.43) TAS2R14
SCHEMBL6343160 0.76 TUBB4A (0.56) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL6680388 0.76 ALDH1A1 (0.61) VCAM1MEN1KMT2ANPSR1MAPT
SCHEMBL2313760 0.75 VCAM1 (0.69) VCAM1MEN1KMT2ARAB9ATXNRD1
SCHEMBL6339080 0.75 TUBB4A (0.55) ALDH1A1GAALMNAHTTPKM
SCHEMBL7534384 0.74 VCAM1 (0.58) VCAM1MEN1KMT2AALDH1A1MAPK1
SCHEMBL7540386 0.73 VCAM1 (0.66) VCAM1MEN1KMT2ANPSR1MAPT

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 51/4885MEN1 2231/4885KMT2A 3154/4885

“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.