SCHEMBL7538012

SCHEMBL7538012

CN(C)c1ccc(CS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 3/20 0.39
CA7 P43166 2/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 2/20 0.36
CNR2 P34972 1/20 0.36
CA4 P22748 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7541058 0.76 CA1 (0.39) HDAC6ALDH1A1CYP3A4CA2CA1
SCHEMBL7533749 0.76 CA12 (0.54) ALDH1A1CA2CA1CA9CA7
SCHEMBL15803351 0.74 CA1 (0.35) HDAC6ALDH1A1MAPK1CA2CA1
SCHEMBL6086563 0.73 HDAC6 (0.48) HDAC6ALDH1A1TSHRCA2CA1
SCHEMBL7541154 0.73 ALDH1A1 (0.56) HDAC6ALDH1A1TSHRMAPK1TDP1
SCHEMBL15806045 0.72 CA1 (0.35) HDAC6CA2CA1CA9CA7
SCHEMBL15805999 0.72 PLCG1 (0.38) HDAC6CA2CA1CA9CA7
SCHEMBL6086477 0.71 HDAC6 (0.47) HDAC6ALDH1A1TSHRMAPK1ALOX15
SCHEMBL15803318 0.71 CA1 (0.35) ALDH1A1MAPK1CA2CA1CA9
SCHEMBL15806138 0.70 CA1 (0.37) HDAC6ALDH1A1CA2CA1CA9

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 HDAC6 1783/4885ALDH1A1 1173/4885TSHR 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.