SCHEMBL561401

SCHEMBL561401

O=C(CSCc1ccccc1)NC(=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL11265829 0.83 RAB9A (0.57) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL23077935 0.80 HDAC8 (0.57) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL8352671 0.79 KMT2A (0.58) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL9377954 0.79 GAA (0.54) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL721637 0.77 CYP2C19 (0.57) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL28668774 0.77 GAA (0.79) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL9370124 0.76 RAB9A (0.55) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL20395222 0.75 CYP2C19 (0.59) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL499117 0.75 CYP2C19 (0.64) RAB9AALDH1A1GAASMN1; SMN2HTT
SCHEMBL17117492 0.75 NPC1 (0.75) RAB9AALDH1A1GAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420698-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2013-04-16 US disclosed
US-20120035257-A1 Histone Deacetylase Inhibitors ERRANT GENE THERAPEUTICS, LLC 2012-02-09 US disclosed
US-20110287535-A1 Histone Deacetylase Inhibitors ERRANT GENE THERAPEUTICS, LLC 2011-11-24 US disclosed
US-20110288168-A1 HISTONE DEACETYLASE INHIBITORS ERRANT GENE THERAPEUTICS, LLC 2011-11-24 US disclosed
US-8026280-B2 For therapy of cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy. ERRANT GENE THERAPEUTICS, LLC (US) 2011-09-27 US disclosed
US-7902259-B2 with zinc-binding activities; 5-phenyl-2,4,-pentadienoyl hydroxamic acid; gene expression inhibitor; anticarcinogenic, antitumor, antiprotozoa agent, viricide; hematological disorders, hemoglobinopathies, genetic related metabolic disorders, cystic fibrosis ERRANT GENE THERAPEUTICS, LLC (US) 2011-03-08 US disclosed
US-7858664-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2010-12-28 US disclosed
US-7842727-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2010-11-30 US disclosed
US-20100234455-A1 Histone Deacetylase Inhibitors ERRANT GENE THERAPEUTICS, LLC 2010-09-16 US disclosed
WO-2008011074-A2 HISTONE DEACETYLASE INHIBITORS ERRANT GENE THERAPEUTICS, LLC (US) 2008-01-24 WO disclosed
US-7312247-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2007-12-25 US disclosed
EP-1817020-A2 HISTONE DEACETYLASE INHIBITORS Errant Gene Therapeutics, Inc. (US) 2007-08-15 EP disclosed
US-20070037869-A1 Treating spinal muscular atrophy with an effective amount of carboxylic acid derivative or hydroxamic acid derivative compound; treating cancer, blood disorders, genetic related metabolic disorders; 5-phenyl-2,4-pentadienoic acid ERRANT GENE THERAPEUTICS, LLC 2007-02-15 US disclosed
US-20060160902-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC 2006-07-20 US disclosed
WO-2006052916-A2 HISTONE DEACETYLASE INHIBITORS ERRANT GENE THERAPEUTICS, INC. (US) 2006-05-18 WO disclosed
US-20050171208-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC, A DELAWARE LIMITED LIABILITY CORPORATION 2005-08-04 US disclosed
US-20050107348-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC, A DELAWARE LIMITED LIABILITY CORPORATION 2005-05-19 US disclosed
US-20030125306-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2003-07-03 US disclosed
US-6495719-B2 FOR USE IN THERAPY OF CANCER, HEMATOLOGICAL DISORDERS, SUCH AS HEMATOPOIESIS, AND GENETIC RELATED METABOLIC DISORDERS, SUCH AS, CYSTIC FIBROSIS AND ADRENOLEUKODYSTROPHY CIRCAGEN PHARMACEUTICAL 2002-12-17 US disclosed
US-20020143037-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2002-10-03 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 (9 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-20120035257-A1 Histone Deacetylase Inhibitors HDAC1, HDAC11, HDAC9 RAB9A 4017/4885ALDH1A1 374/4885GAA 130/4885
US-20050171208-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 RAB9A 4017/4885ALDH1A1 374/4885GAA 130/4885
US-20030125306-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 RAB9A 4026/4885ALDH1A1 474/4885GAA 127/4885
US-20050107348-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 RAB9A 4017/4885ALDH1A1 374/4885GAA 130/4885
US-20020143037-A1 Histone deacetylase inhibitors HDAC1, HDAC9, HDAC11 RAB9A 3585/4885ALDH1A1 269/4885GAA 114/4885
US-20100234455-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 RAB9A 3807/4885ALDH1A1 1607/4885GAA 3118/4885
US-20060160902-A1 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC11 RAB9A 3807/4885ALDH1A1 1607/4885GAA 3118/4885
US-20110288168-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC6, HDAC5 RAB9A 3788/4885ALDH1A1 778/4885GAA 83/4885
US-20070037869-A1 Treating spinal muscular atrophy with an effective amount of carboxylic acid derivative or hydroxamic acid derivative compound; treating cancer, blood disorders, genetic related metabolic disorders; 5-phenyl-2,4-pentadienoic acid HDAC5, HDAC1, ZNF277 RAB9A 4058/4885ALDH1A1 370/4885GAA 140/4885

“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.