SCHEMBL6851934

SCHEMBL6851934

NC(=NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.50
KAT6A Q92794 1/20 0.50
F10 P00742 2/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
POLB P06746 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPH1 P17752 2/20 0.44

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
SCHEMBL7370483 0.88 F2 (0.47) F2KAT6AF10PLGPLAT
SCHEMBL7440975 0.86 F2 (0.53) F2F10PLGPLATPRSS1
SCHEMBL8743773 0.78 F2 (0.52) F2KAT6AF10PLATPOLB
SCHEMBL3419341 0.74 F2 (0.60) F2KAT6AF10PLGPLAT
SCHEMBL3057528 0.74 F2 (0.60) F2KAT6AF10PLGPLAT
SCHEMBL5171526 0.71 SLC7A5 (0.50) F2SLC1A3SLC1A2SLC1A1TPH1
SCHEMBL5171532 0.71 SLC7A5 (0.50) F2SLC1A3SLC1A2SLC1A1TPH1
SCHEMBL6848743 0.71 KAT6A (0.63) F2KAT6AF10PRSS1PRSS2
SCHEMBL4351626 0.70 SLC7A5 (0.51) TPH1
SCHEMBL16792856 0.70 TPH1 (0.60) TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
WO-2001079195-A9 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INT INC (US) 2003-10-23 WO disclosed
US-6608204-B1 Peptide aldehyde having arginine or arginine mimics at P1 and pyridone, pyrimidone, or uracil groups; antithrombosis agents CORVAS INTERNATIONAL, INC. 2003-08-19 US disclosed
US-20030092679-A1 Novel non-convalent thrombin inhibitors DENDREON PHARMACEUTICALS LLC 2003-05-15 US disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 US disclosed
US-6506761-B1 Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506754-B1 Compounds as anticoagulants CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506760-B1 Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
EP-0765338-B1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-04-21 EP disclosed
EP-0765339-B1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-01-27 EP disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
EP-0765338-A1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
EP-0765339-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed
WO-1995035313-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed
WO-1995035312-A1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 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 (1 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-20030092679-A1 Novel non-convalent thrombin inhibitors F2, SERPINC1, F2RL3 F2 1/4885KAT6A 4381/4885F10 16/4885

“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.