SCHEMBL846697

SCHEMBL846697

CON1C(=O)CCC(=O)[C@]1(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 2/20 0.51
TACR1 P25103 7/20 0.49
ITGB1 P05556 3/20 0.43
ITGA4 P13612 3/20 0.43
CMA1 P23946 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL2682605 0.89 TACR1 (0.40) FKBP4TACR1ITGB1ITGA4CMA1
SCHEMBL387694 0.87 TACR1 (0.40) FKBP4TACR1CMA1
SCHEMBL847832 0.87 CMA1 (0.49) CMA1OPRM1OPRD1OPRK1
SCHEMBL398010 0.86 KCNH2 (0.39) FKBP4TACR1
SCHEMBL366333 0.85 TACR1 (0.51) FKBP4TACR1ITGB1ITGA4CMA1
SCHEMBL410223 0.84 FKBP4 (0.54) FKBP4TACR1ITGB1ITGA4CMA1
SCHEMBL3277774 0.83 FKBP4 (0.57) FKBP4TACR1OPRM1OPRD1OPRK1
SCHEMBL11103910 0.81 FKBP4 (0.58) FKBP4TACR1ITGB1ITGA4CMA1
SCHEMBL3667052 0.81 FKBP4 (0.58) FKBP4TACR1OPRM1OPRD1OPRK1
SCHEMBL5833504 0.81 TACR1 (0.53) FKBP4TACR1ITGB1ITGA4CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433138-B1 METHOD FOR DETECTING A WOUND INFECTION TECH UNIVERSITÄT GRAZ (AT) 2016-09-14 EP claimed
US-8822173-B2 Wound dressing or swab for detecting infection EVA WEHRSCHUTZ-SIGL (AT) 2014-09-02 US claimed
US-20130337484-A1 METHOD FOR DETECTING A WOUND INFECTION WEHRSCHUTZ-SIGL, EVA (AT) 2013-12-19 US claimed
US-8497085-B2 Method for detecting a wound infection TECHNISCHE UNIVERSITAT GRAZ (AT) 2013-07-30 US claimed
US-20120258483-A1 METHOD FOR DETECTING A WOUND INFECTION TECHNISCHE UNIVERSITAT GRAZ (AT) 2012-10-11 US claimed
EP-2433138-A1 METHOD FOR DETECTING A WOUND INFECTION Technische Universität Graz (AT) 2012-03-28 EP claimed
WO-2010133589-A1 METHOD FOR DETECTING A WOUND INFECTION TECHNISCHE UNIVERSITÄT GRAZ (AT) 2010-11-25 WO claimed
US-20230213525-A1 DETECTING MICROBIAL INFECTION IN WOUNDS QUALIZYME DIAGNOSTICS GMBH & CO KG (AT) 2023-07-06 US disclosed
EP-3436820-A2 DETECTING MICROBIAL INFECTION IN WOUNDS Qualizyme Diagnostics GmbH&Co KG (AT) 2019-02-06 EP disclosed
WO-2017168249-A2 DETECTING MICROBIAL INFECTION IN WOUNDS QUALIZYME DIAGNOSTICS GMBH & CO KG (AT) 2017-10-05 WO disclosed
EP-2433138-B1 METHOD FOR DETECTING A WOUND INFECTION TECH UNIVERSITÄT GRAZ (AT) 2016-09-14 EP disclosed
US-8822173-B2 Wound dressing or swab for detecting infection EVA WEHRSCHUTZ-SIGL (AT) 2014-09-02 US disclosed
US-20130337484-A1 METHOD FOR DETECTING A WOUND INFECTION WEHRSCHUTZ-SIGL, EVA (AT) 2013-12-19 US disclosed
US-5998142-A NUCLEIC ACID LIGAND WHICH BINDS TO PROTEIN NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-07 US disclosed
US-5962219-A DETECTING NUCLEIC ACIDS WITH ACTIVITY BY MIXING WITH TARGET, FORMING COVALENT BOND BETWEEN TARGET AND CHEMICALLY REACTIVE UNIT OF NUCLEIC ACID, SEPARATING NUCLEIC ACIDS WITH ACTIVITY FROM NONREACTIVE NUCLEIC ACIDS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
US-5827672-A Human monocyte elastase inhibitor antibodies CENTER FOR BLOOD RESEARCH, INC. (US) 1998-10-27 US disclosed
US-5763595-A NUCLEIC ACID LIGANDS WHICH BIND COVALENTLY WITH PROTEIN NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-09 US disclosed
US-5705337-A NUCLEIC ACID DETECTION OF LIGANDS THAT BIND COVALENTLY WITH TARGET MOLECULE COMPLEXES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-01-06 US disclosed
US-5663299-A Human monocyte elastase inhibitor CENTER FOR BLOOD RESEARCH, INC. (US) 1997-09-02 US disclosed
WO-1996010418-A1 HUMAN MONOCYTE ELASTASE INHIBITOR CENTER FOR BLOOD RESEARCH, INC. (US) 1996-04-11 WO disclosed