SCHEMBL5084151

SCHEMBL5084151

CC(O)(CC(N)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 1/20 0.52
NR3C2 P08235 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KIF11 P52732 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL11494450 0.89 CYP2C9 (0.50) KMT2AMAPTCYP2C19HIF1AKIF11
SCHEMBL3291465 0.85 CYP2C19 (0.69) KMT2AMAPTCYP2C19HIF1ANR3C2
SCHEMBL25332888 0.85 CYP2C19 (0.69) KMT2AMAPTCYP2C19HIF1ANR3C2
SCHEMBL1202058 0.85 CYP2C19 (0.69) KMT2AMAPTCYP2C19HIF1ANR3C2
SCHEMBL11506731 0.85 PARP10 (0.49) KMT2ALMNA
SCHEMBL30944447 0.83 CYP2C19 (0.55) KMT2AMAPTCYP2C19HIF1ANR3C2
SCHEMBL2813766 0.82 MAPT (0.55) KMT2AMAPTCYP2C19HIF1ATAAR1
SCHEMBL362442 0.82 KMT2A (0.55) KMT2AMAPTCYP2C19HIF1ATAAR1
Hydrochloric Acid SCHEMBL5789392 0.80 MAPT (0.53) KMT2AMAPTCYP2C19HIF1ATAAR1
SCHEMBL10483830 0.79 MAPT (0.47) KMT2AMAPTCYP2C19HIF1AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
WO-2008118457-A2 SYNTHESIS OF RESOLVINS AND INTERMEDIATES, COMPOUNDS PREPARED THEREBY, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NJ (US) 2008-10-02 WO disclosed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP disclosed
US-20060046966-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
US-6995142-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
EP-1329457-B1 Antipicornaviral compounds, their preparation and use AGOURON PHARMA (US) 2005-11-02 EP disclosed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 WO disclosed
US-6906198-B1 Antipicornaviral compounds, their preparation and use AGOURON PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PETER DRAGOVICH S (US) 2004-04-15 US disclosed
US-6649639-B2 Inhibit or block the biological activity of the picornaviral 3C protease. DRAGOVICH PETER S (US) 2003-11-18 US disclosed
EP-0975588-B1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2003-09-03 EP disclosed
EP-1329457-A2 Antipicornaviral compounds, their preparation and use AGOURON PHARMACEUTICALS, INC. (US) 2003-07-23 EP disclosed
US-20030130204-A1 Antipicornaviral compounds and compositons, their pharmaceutical uses, and materials for their synthesis DRAGOVICH PETER SCOTT (US) 2003-07-10 US disclosed
US-6531452-B1 Peptide-like and peptidomimetic compounds that inhibit enzymatic activity of picornaviral 3C proteases and inhibit picornavirus replication AGOURON PHARMACEUTICALS, INC. 2003-03-11 US disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO disclosed
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use DRAGOVICH PETER S (US) 2002-03-14 US disclosed
US-6331554-B1 PICORNAVIRUS PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 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 (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-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KMT2A 1620/4885MAPT 1214/4885CYP2C19 1021/4885
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 KMT2A 3212/4885MAPT 1709/4885CYP2C19 3226/4885
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PCNA, ZC3HAV1, POLR1C KMT2A 4120/4885MAPT 3665/4885CYP2C19 4876/4885
US-20060046966-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP KMT2A 4069/4885MAPT 2481/4885CYP2C19 2405/4885
US-20030130204-A1 Antipicornaviral compounds and compositons, their pharmaceutical uses, and materials for their synthesis SARNP, RNASE1, SERPINA3 KMT2A 4547/4885MAPT 1685/4885CYP2C19 2576/4885

“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.