SCHEMBL2574576

SCHEMBL2574576

CC(C)C(=O)CC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.44
CYP1A2 P05177 1/20 0.44
ENPEP Q07075 2/20 0.43
LTA4H P09960 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
TP53 P04637 1/20 0.38
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL9579834 0.81 GABRR1 (0.42) GABRR1CYP1A2ENPEPLTA4HTP53
SCHEMBL18099918 0.79 GABRR1 (0.41) GABRR1CYP1A2ENPEPLTA4HTP53
SCHEMBL13668753 0.79 ALDH1A1 (0.43) GABRR1CYP1A2ENPEPLTA4HTP53
SCHEMBL12257196 0.79 LTA4H (0.55) GABRR1CYP1A2ENPEPLTA4H
SCHEMBL8948256 0.78
SCHEMBL26771564 0.78 CHRM1 (0.42) RNPEPTP53FOLH1
SCHEMBL10308352 0.78 ALDH1A1 (0.33)
SCHEMBL12836151 0.78 ALDH1A1 (0.39)
SCHEMBL10806127 0.77 ENPEP (0.44) GABRR1CYP1A2ENPEPLTA4HRNPEP
SCHEMBL791253 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
EP-2385034-B1 Process for the preparation of 1-nitro-4-oxobutanylamides SYNKOLA S R O (SK) 2015-12-02 EP disclosed
US-8993607-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-03-31 US disclosed
US-8318425-B2 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein The United States of America, as represented by the Secretary, Department & Human Services (US) 2012-11-27 US disclosed
US-8318425-B2 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein The United States of America, as represented by the Secretary, Department & Human Services (US) 2012-11-27 US disclosed
US-20120046234-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2012-02-23 US disclosed
EP-2385034-A2 Process for the preparation of 1-nitro-4-oxobutanylamides Synkola, s.r.o. (SK) 2011-11-09 EP disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
US-20100221264-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein PANACOS PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
US-20100221264-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein PANACOS PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
CN-101563341-A Piperidine derivative used for treating chemokine receptor 5 mediated diseases ASTRAZENECA AB (SE) 2009-10-21 CN disclosed
US-7537765-B2 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein PANACOS PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7537765-B2 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein PANACOS PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20080233559-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein PANACOS PHARMACEUTICALS, INC. 2008-09-25 US disclosed
US-20080200550-A1 Inhibition of Hiv-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein V.I. TECHNOLOGIES, INC. (US) 2008-08-21 US disclosed
US-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-3971816-A Esters of carboxylic acids formally substituted by sodium or potassium in the alpha-position and the method for their preparation CESKOSLOVENSKA AKADEMIE VED (CS) 1976-07-27 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 (6 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-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO GABRR1 1466/4885CYP1A2 708/4885ENPEP 802/4885
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 GABRR1 1564/4885CYP1A2 2148/4885ENPEP 36/4885
US-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS TARBP1, TSNAX, TARDBP GABRR1 1841/4885CYP1A2 535/4885ENPEP 2265/4885
US-20120046234-A1 THERAPEUTIC COMPOUNDS MKI67, MCL1, TP53 GABRR1 3789/4885CYP1A2 2396/4885ENPEP 1484/4885
US-20100221264-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein SP1, CPSF1, BET1 GABRR1 1635/4885CYP1A2 4559/4885ENPEP 419/4885
US-20080200550-A1 Inhibition of Hiv-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein SP1, CPSF1, SUB1 GABRR1 1708/4885CYP1A2 4523/4885ENPEP 433/4885

“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.