SCHEMBL1982525

SCHEMBL1982525

O=C(O)c1ccc(CCS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HSD11B1 P28845 4/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
TAS2R14 Q9NYV8 2/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RARB P10826 2/20 0.47
CA1 P00915 1/20 0.47
PLA2G4A P47712 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9813806 0.87 HDAC1 (0.58) HDAC1HDAC8TSHRHSD17B10HSD11B1
SCHEMBL1983535 0.84 HDAC1 (0.86) HDAC1HDAC8HSD17B10CA12CA9
SCHEMBL3241520 0.83 LOX (0.54) HDAC1HDAC8HSD11B1CA2CA12
SCHEMBL10587732 0.83 HDAC1 (0.54) HDAC1HDAC8TSHRHSD17B10HSD11B1
SCHEMBL9815794 0.82 TDP1 (0.54) HDAC1HDAC8HSD11B1CA2CA12
SCHEMBL19248976 0.81 HDAC1 (0.65) HDAC1HDAC8HSD17B10HSD11B1MMP12
SCHEMBL15056487 0.81 AKR1C3 (0.51) HDAC1HDAC8TSHRHSD17B10HSD11B1
SCHEMBL6509990 0.79 MAOB (0.57) HDAC1HDAC8CA2CA12MMP12
SCHEMBL20436788 0.79 KMT2A (0.65) HDAC1HDAC8HSD11B1MEN1KMT2A
SCHEMBL10580731 0.78 HDAC1 (0.56) HDAC1HDAC8TSHRHSD17B10HSD11B1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246787-B Meta-disubstituted compound, preparation thereof and application thereof in preventing and treating mosquito and plant pathogen diseases 吉林省达凯生物医药有限公司 2024-03-12 CN disclosed
CN-115246787-A Meta-disubstituted compound, preparation thereof and application thereof in preventing and treating mosquito and plant pathogenic bacteria 吉林省达凯生物医药有限公司 2022-10-28 CN disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 US disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 EP disclosed
WO-2001038322-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-05-31 WO 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885TSHR 4034/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885TSHR 4034/4885

“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.