SCHEMBL7535604

SCHEMBL7535604

COc1ccc(NS(=O)(=O)c2c(F)c(F)c(NS(=O)(=O)C(F)(F)F)c(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PTPN1 P18031 1/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
PGR P06401 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
PTPN11 Q06124 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL7533283 0.85 LMNA (0.60) ALDH1A1LMNAGAAMAPK1CA1
SCHEMBL6087565 0.84 ALDH1A1 (0.62) ALDH1A1LMNAGAAMAPK1CA1
SCHEMBL8104251 0.83 ALDH1A1 (0.60) ALDH1A1LMNAGAAMAPK1CA1
SCHEMBL7534084 0.83 PKM (0.47) PTPN1PTGS1PTGS2GAACA1
SCHEMBL7540045 0.83 LMNA (0.46) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL7534931 0.82 PGR (0.63) ALDH1A1LMNAGAAMAPK1CA1
SCHEMBL15116359 0.81 PTPN1 (0.73) ALDH1A1PTPN1PTGS1PTGS2LMNA
SCHEMBL7540113 0.81 L3MBTL1 (0.42) ALDH1A1LMNAMAPK1CA1CA2
SCHEMBL6673886 0.80 ALDH1A1 (0.51) ALDH1A1LMNAGAAMAPK1CA1
SCHEMBL6676861 0.79 ALDH1A1 (0.56) ALDH1A1LMNAGAAMAPK1CA1

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 ALDH1A1 1173/4885PTPN1 376/4885PTGS1 768/4885

“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.