SCHEMBL4424252

SCHEMBL4424252

Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.61
CASP1 P29466 1/20 0.56
F2 P00734 2/20 0.55
PRSS1 P07477 1/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTRC Q99895 5/20 0.48

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
SCHEMBL27501507 0.89 ELANE (0.62) ELANECASP1F2PRSS1NPC1
SCHEMBL21685581 0.88 ELANE (0.49) ELANECASP1F2PRSS1NPC1
SCHEMBL5116942 0.88 ELANE (0.52) ELANECASP1NPC1RAB9ACTRC
SCHEMBL2798490 0.87 ELANE (0.64) ELANECASP1F2PRSS1NPC1
SCHEMBL7333969 0.85 ELANE (0.53) ELANECASP1NPC1RAB9A
SCHEMBL7026125 0.84 SYK (0.49) ELANECASP1F2PRSS1CTRC
SCHEMBL7229401 0.82 ELANE (0.60) ELANENPC1RAB9ACTRC
SCHEMBL4422918 0.81 F2 (0.56) ELANECASP1F2PRSS1
SCHEMBL6852033 0.81 KAT2B (0.56) ELANECASP1F2PRSS1NPC1
SCHEMBL7322304 0.79 NPC1 (0.55) ELANECASP1F2PRSS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP disclosed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 US disclosed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
US-6245763-B1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-06-12 US disclosed
EP-0934305-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US disclosed
EP-0934305-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-08-11 EP disclosed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 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 (2 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-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 ELANE 261/4885CASP1 506/4885F2 26/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 ELANE 468/4885CASP1 314/4885F2 7/4885

“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.