SCHEMBL472872

SCHEMBL472872

C=CCc1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 6/20 0.54
CTSL P07711 6/20 0.54
LMNA P02545 5/20 0.51
HTT P42858 3/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 3/20 0.50
CYP1A2 P05177 2/20 0.50
HPGD P15428 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 2/20 0.47
TUBB4A P04350 1/20 0.47
TP53 P04637 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 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
SCHEMBL8499215 0.78 CTSV (0.63) CTSVCTSLLMNAHTTMAPK1
SCHEMBL31457901 0.77 CTSV (0.58) CTSVCTSLLMNAHTTMAPK1
SCHEMBL4764681 0.77 CTSV (0.67) CTSVCTSLLMNAHTTMAPK1
SCHEMBL1161271 0.77 CTSV (0.58) CTSVCTSLLMNAHTTMAPK1
SCHEMBL1162107 0.77 CTSV (0.58) CTSVCTSLLMNAHTTMAPK1
SCHEMBL31716577 0.77 CTSV (0.58) CTSVCTSLLMNAHTTMAPK1
SCHEMBL19211147 0.77 CTSV (0.58) CTSVCTSLLMNAHTTMAPK1
Hydrochloric Acid SCHEMBL19211248 0.76 CTSV (0.56) CTSVCTSLLMNAHTTMAPK1
SCHEMBL325463 0.75 LOXL2 (0.58) AHR
SCHEMBL31105584 0.75 LOXL2 (0.58) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 US disclosed
CN-117224534-A Lactam for treating skin lesions 联合利华知识产权控股有限公司 2023-12-15 CN disclosed
WO-2023227856-A1 AN ELECTROCHEMICAL SENSOR AND METHOD FOR DETECTING PATHOGENIC METABOLITES UNIVERSITY OF DURHAM (GB) 2023-11-30 WO disclosed
US-20230106506-A1 NOVEL PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-04-06 US disclosed
US-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis Universität Konstanz (DE) 2023-03-07 US disclosed
EP-4085057-A1 NOVEL PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-11-09 EP disclosed
US-20210393586-A1 Compounds for Use in the Treatment of Bacterial Infections Universität Konstanz (DE) 2021-12-23 US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 US disclosed
US-11160787-B2 4-(4-chlorophenyl)-5-methylene-pyrrol-2-one and 5-methylene-4-(p-tolyl)pyrrol-2-one for use in the treatment of gram negative bacterial infections CONOPCO, INC. (US) 2021-11-02 US disclosed
US-11083706-B2 Lactams for use in the treatment of skin lesions CONOPCO, INC. (US) 2021-08-10 US disclosed
EP-2598651-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION Sanofi-Aventis Deutschland GmbH (DE) 2013-06-05 EP disclosed
US-20130123360-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-05-16 US disclosed
WO-2012154651-A2 MOLECULAR ROADBLOCKS FOR RPON BINDING SITES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-11-15 WO disclosed
WO-2012013621-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-02-02 WO disclosed
EP-2412819-A1 Methods and uses relating to the identification of compound associated with bacterial infection Sanofi-Aventis Deutschland GmbH (DE) 2012-02-01 EP disclosed
US-20110172826-A1 Device including altered microorganisms, and methods and systems of use SEARETE LLC 2011-07-14 US disclosed
US-20110046195-A1 Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-02-24 US disclosed
US-20110028945-A1 Device including altered microorganisms, and methods and systems of use SEARETE LLC, 2011-02-03 US disclosed
US-20110027181-A1 Device including altered microorganisms, and methods and systems of use SEARETE LLC 2011-02-03 US disclosed
WO-2007008769-A2 USE OF PSEUDAN AND PSEUDAN INCLUSION BODIES GEORGE MASON UNIVERSITY (US) 2007-01-18 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 (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-20110046195-A1 Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing BID, HCAR1, HCAR2 CTSV 3040/4885CTSL 1129/4885LMNA 4349/4885
US-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis MLEC, MPO, B3GNT2 CTSV 2179/4885CTSL 2051/4885LMNA 1268/4885
US-20110027181-A1 Device including altered microorganisms, and methods and systems of use DNASE1, MTREX, POLI CTSV 2870/4885CTSL 1662/4885LMNA 1919/4885
US-20230106506-A1 NOVEL PqsR INVERSE AGONISTS QRFPR, P2RY11, GPR55 CTSV 4217/4885CTSL 3568/4885LMNA 4627/4885
US-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 CTSV 3799/4885CTSL 2876/4885LMNA 4546/4885
US-20210393586-A1 Compounds for Use in the Treatment of Bacterial Infections BLVRB, ELANE, BPGM CTSV 2958/4885CTSL 1874/4885LMNA 4425/4885
US-11083706-B2 Lactams for use in the treatment of skin lesions CUTA, MGAM, DPM1 CTSV 646/4885CTSL 579/4885LMNA 2819/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 CTSV 3799/4885CTSL 2876/4885LMNA 4546/4885
US-11160787-B2 4-(4-chlorophenyl)-5-methylene-pyrrol-2-one and 5-methylene-4-(p-tolyl)pyrrol-2-one for use in the treatment of gram negative bacterial infections PGLS, PNKP, PPIL4 CTSV 1767/4885CTSL 173/4885LMNA 4566/4885

“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.