SCHEMBL135909

SCHEMBL135909

CCCC(CC(C)=O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL12577919 0.88 CA2 (0.48) TDP1CYP3A4TSHRALDH1A1LMNA
SCHEMBL5936778 0.87 MEN1 (0.50) TDP1CYP3A4TSHRALDH1A1LMNA
SCHEMBL5973494 0.86 CPB2 (0.44) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL4319039 0.86 KMT2A (0.40) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL4552685 0.85 CPB2 (0.50) CPB2CA1CA2GRIK1GRIK2
SCHEMBL4240433 0.85 CPB2 (0.50) CPB2CA1CA2GRIK1GRIK2
SCHEMBL4726173 0.84 HDAC1 (0.52) HDAC1HDAC2TDP1CHRM1AKR1A1
Water SCHEMBL7876036 0.84 MEN1 (0.39) TDP1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL29196527 0.84 CYP3A4 (0.43) HDAC1HDAC2TDP1CHRM1AKR1A1
SCHEMBL10803219 0.83 MGAM (0.44) HDAC1HDAC2TDP1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 CN disclosed
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
CN-102459280-B Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-14 CN disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
CN-102770181-B Antiviral compound KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-08-12 CN disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
CN-102770181-A Novel antiviral compounds UNIV LEUVEN KATH 2012-11-07 CN disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2012065963-A2 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 WO disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 WO disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
US-20060223888-A1 Valproic acid analogues and pharmaceutical composition thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2006-10-05 US disclosed
WO-2004054957-A2 VALPROIC ACID ANALOGUES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2004-07-01 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 (5 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 305/4885HDAC2 1039/4885TDP1 2494/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS HDAC1 1817/4885HDAC2 1822/4885TDP1 928/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS HDAC1 1817/4885HDAC2 1822/4885TDP1 928/4885
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HDAC1 227/4885HDAC2 985/4885TDP1 2102/4885
US-20060223888-A1 Valproic acid analogues and pharmaceutical composition thereof MALT1, HDAC11, GABRA6 HDAC1 5/4885HDAC2 14/4885TDP1 1312/4885

“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.