SCHEMBL2690296

SCHEMBL2690296

O=S(=O)(Nc1cccc(I)c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.66
IL1RN P18510 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
HTR6 P50406 6/20 0.65
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PKM P14618 1/20 0.61
ITGA1 P56199 1/20 0.60
GAA P10253 2/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PGR P06401 1/20 0.56
POLB P06746 1/20 0.56
CYP19A1 P11511 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GFER P55789 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53

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
SCHEMBL9001184 0.87 KEAP1 (0.79) KEAP1IL1RNERAP1HTR6ALDH1A1
SCHEMBL16900686 0.85 CA12 (0.65) HTR6ALDH1A1MEN1KMT2AITGA1
SCHEMBL15314389 0.81 KMT2A (0.65) KEAP1ALDH1A1MEN1KMT2AGAA
SCHEMBL31441925 0.81 CA2 (0.68) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL25031372 0.80 KEAP1 (1.00) KEAP1IL1RNERAP1HTR6ALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL114765 0.80 KEAP1 (1.00) KEAP1IL1RNERAP1HTR6ALDH1A1
SCHEMBL2692360 0.79 KMT2A (0.74) KEAP1IL1RNERAP1HTR6ALDH1A1
SCHEMBL1403148 0.79 KMT2A (0.74) KEAP1IL1RNERAP1ALDH1A1MEN1
SCHEMBL8081768 0.79 KEAP1 (0.79) KEAP1IL1RNERAP1HTR6ALDH1A1
SCHEMBL5730534 0.79 IL1RN (0.66) KEAP1IL1RNERAP1HTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 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
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP disclosed
US-20040266718-A1 Inhibition of specific histone deacetylase isoforms LI ZUOMEI (CA) 2004-12-30 US disclosed
EP-1438404-A2 INHIBITION OF SPECIFIC HISTONE DEACETYLASE ISOFORMS Methylgene, Inc. (CA) 2004-07-21 EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 US disclosed
WO-2003006652-A2 INHIBITION OF SPECIFIC HISTONE DEACETYLASE ISOFORMS METHYLGENE, INC. (CA) 2003-01-23 WO disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 EP disclosed
US-20020061860-A1 Antisense oligonucleotide inhibition of specific histone deacetylase isoforms METHYLGENE, INC. (CA) 2002-05-23 US 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 (4 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-20020061860-A1 Antisense oligonucleotide inhibition of specific histone deacetylase isoforms HDAC5, HDAC1, HDAC8 KEAP1 3467/4885IL1RN 2983/4885ERAP1 260/4885
US-20040266718-A1 Inhibition of specific histone deacetylase isoforms HDAC1, HDAC5, HDAC3 KEAP1 2301/4885IL1RN 3004/4885ERAP1 175/4885
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 KEAP1 1183/4885IL1RN 2434/4885ERAP1 442/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 KEAP1 1183/4885IL1RN 2434/4885ERAP1 442/4885

“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.