SCHEMBL7533749

SCHEMBL7533749

COc1ccc(CS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CA7 P43166 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
PLCG1 P19174 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
APLNR P35414 2/20 0.45
TXNRD1 Q16881 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 2/20 0.41
IDO1 P14902 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL15806138 0.80 CA1 (0.37) CA12CA1CA2CA9CA7
SCHEMBL15805999 0.79 PLCG1 (0.38) CA12CA1CA2CA9CA7
SCHEMBL7540460 0.79 CA2 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL15806045 0.79 CA1 (0.35) CA12CA1CA2CA9CA7
SCHEMBL15803351 0.78 CA1 (0.35) CA12CA1CA2CA9CA7
SCHEMBL15803318 0.78 CA1 (0.35) CA12CA1CA2CA9CA7
SCHEMBL7535556 0.78 TUBB1 (0.43) ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL29665700 0.78 TUBB1 (0.43) ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7541058 0.76 CA1 (0.39) CA12CA1CA2CA9CA7
SCHEMBL7538012 0.76 HDAC6 (0.48) CA12CA1CA2CA9CA7

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 6 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
US-6388131-B2 Benzenesulfonamide compounds, which encompasses the compound batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene) TULARIK, INC. 2002-05-14 US disclosed
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US disclosed
US-6284923-B1 BENZENESULFONIMIDES FOR TREATMENT OF CANCER AND ANTICHOLESTEROL AGENTS TULARIK INC 2001-09-04 US disclosed

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 CA12 4726/4885CA1 4659/4885CA2 3895/4885

“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.