SCHEMBL1706481

SCHEMBL1706481

[CH2]S(=O)(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CES1 P23141 1/20 0.59
KIF11 P52732 1/20 0.55
ALDH1A1 P00352 3/20 0.46
PRMT1 Q99873 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PGR P06401 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TGM2 P21980 1/20 0.41
NPC1 O15118 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
SCHEMBL11707345 0.80 CA1 (0.67) CA1CA2CES1KIF11ALDH1A1
SCHEMBL3365092 0.78 CA1 (0.64) CA1CA2CES1KIF11ALDH1A1
SCHEMBL15549491 0.76 CA1 (0.61) CA1CA2CES1KIF11ALDH1A1
SCHEMBL7438763 0.76 CA1 (0.61) CA1CA2ALDH1A1TDP1PGR
SCHEMBL1645913 0.76 CA1 (1.00) CA1CA2CES1KIF11PRMT1
SCHEMBL3088460 0.76 CA1 (0.61) CA1CA2CES1KIF11ALDH1A1
SCHEMBL479173 0.76 KIF11 (0.88) CA1CA2CES1KIF11ALDH1A1
SCHEMBL2103296 0.75 KEAP1 (0.58) CA1CA2ALDH1A1TDP1PGR
SCHEMBL2474197 0.74 CES1 (1.00) CES1ALDH1A1PRMT1TDP1PGR
SCHEMBL30834845 0.74 CES1 (0.63) CA1CA2CES1KIF11ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US claimed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP claimed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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 (2 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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CA1 3135/4885CA2 2393/4885CES1 650/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CA1 3135/4885CA2 2393/4885CES1 650/4885

“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.