SCHEMBL6979828

SCHEMBL6979828

O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.76
ACE2 Q9BYF1 9/20 0.62
REN P00797 1/20 0.57
LTA4H P09960 2/20 0.56

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
SCHEMBL8268894 1.00 ACE (0.76) ACEACE2RENLTA4H
SCHEMBL5970431 1.00 ACE (0.76) ACEACE2RENLTA4H
SCHEMBL9477156 1.00 ACE (0.76) ACEACE2RENLTA4H
SCHEMBL8261181 1.00 ACE (0.76) ACEACE2RENLTA4H
SCHEMBL9574253 1.00 ACE (0.76) ACEACE2RENLTA4H
SCHEMBL8256761 0.94 ACE (0.69) ACEACE2RENLTA4H
SCHEMBL8265844 0.92 ACE (0.65) ACEACE2REN
SCHEMBL13533686 0.92 ACE (0.65) ACEACE2REN
SCHEMBL8257846 0.92 ACE (0.65) ACEACE2REN
SCHEMBL31197026 0.91 ACE (0.67) ACEACE2RENLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery Trigen Holdings AG (GB) 2012-02-16 US disclosed
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery Trigen Holdings AG (GB) 2012-02-16 US disclosed
US-20100035827-A1 Multivalent metal salts of boronic acids PAION DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20100035827-A1 Multivalent metal salts of boronic acids PAION DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20080166396-A1 Boronate Medicaments Suitable for Short Duration Anticoagulation TRIGEN HOLDINGS AG CLAREVILLE HOUSE (GB) 2008-07-10 US disclosed
US-20080166396-A1 Boronate Medicaments Suitable for Short Duration Anticoagulation TRIGEN HOLDINGS AG CLAREVILLE HOUSE (GB) 2008-07-10 US disclosed
US-7371729-B2 Boronic acid salts useful in parenteral formulations TRIGEN LIMITED (GB) 2008-05-13 US disclosed
US-7371729-B2 Boronic acid salts useful in parenteral formulations TRIGEN LIMITED (GB) 2008-05-13 US disclosed
US-20060084592-A1 Peptide boronic acid inhibitors TRIGEN LIMITED 2006-04-20 US disclosed
US-20060084592-A1 Peptide boronic acid inhibitors TRIGEN LIMITED 2006-04-20 US disclosed
US-5498779-A ANTICOAGULANTS AND TREATMENT OF ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1996-03-12 US disclosed
EP-0686642-A2 Modified guanidino and amidino thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-13 EP disclosed
US-5391705-A Anticoagulants, treats thrombophlebitis, coronary thrombosis and asthma MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed
EP-0503203-A1 Novel thrombin inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-16 EP disclosed
EP-0504064-A1 Novel thrombin inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-09-16 EP disclosed
EP-0185390-B1 TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-10-02 EP disclosed
US-4703036-A ANTICOAGULANTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-10-27 US disclosed
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP disclosed
US-4346078-A Novel anticoagulant agmatine derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1982-08-24 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 (4 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-20060084592-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 ACE 220/4885ACE2 817/4885REN 100/4885
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery F9, FGB, TFPI ACE 2313/4885ACE2 2592/4885REN 2617/4885
US-20100035827-A1 Multivalent metal salts of boronic acids BTD, SLC5A6, BPGM ACE 85/4885ACE2 514/4885REN 958/4885
US-20080166396-A1 Boronate Medicaments Suitable for Short Duration Anticoagulation F2, HABP2, BDKRB1 ACE 495/4885ACE2 986/4885REN 1409/4885

“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.