SCHEMBL6059792

SCHEMBL6059792

CC(=N)NC/C=C/C[C@](C)(N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.37
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
BLM P54132 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
ADRA1A P35348 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL6059520 1.00 GGT1 (0.37) GGT1ARG1ARG2BLMKDM4E
SCHEMBL5834081 1.00 GGT1 (0.37) GGT1ARG1ARG2BLMKDM4E
SCHEMBL5839218 1.00 GGT1 (0.37) GGT1ARG1ARG2BLMKDM4E
SCHEMBL909828 0.84 GGT1 (0.42) GGT1ARG1ARG2BLM
SCHEMBL7074561 0.84 GGT1 (0.35) GGT1ARG1ARG2
SCHEMBL7067865 0.84 GGT1 (0.35) GGT1ARG1ARG2
SCHEMBL909829 0.84 GGT1 (0.42) GGT1ARG1ARG2BLM
SCHEMBL7126761 0.84 GGT1 (0.35) GGT1ARG1ARG2
SCHEMBL1843909 0.84 GGT1 (0.42) GGT1ARG1ARG2BLM
SCHEMBL7127756 0.84 GGT1 (0.35) GGT1ARG1ARG2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2005-11-17 US claimed
US-6756406-B2 ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES; OSTEOARTHRITIS; INHIBITION OF THE INDUCIBLE NITRIC OXIDE SYNTHASE - INDUCED AFTER ACTIVATION OF VASCULAR SMOOTH MUSCLE, MACROPHAGES, ENDOTHELIAL CELLS BY ENOTOXIN AND CYTOKINES PHARMACIA CORPORATION 2004-06-29 US claimed
US-20040077639-A1 Methods for the treatment of respiratory diseases and conditions using a selective iNOS inhibitor MANNING PAMELA T (US) 2004-04-22 US claimed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
US-7012098-B2 Inhibitors of inducible nitric oxide synthase for chemoprevention and treatment of cancers PHARMACIA CORPORATION (US) 2006-03-14 US disclosed
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2005-11-17 US disclosed
US-20040127569-A1 Methods for treatment and prevention of gastrointestinal conditions PHARMACIA CORPORATION 2004-07-01 US disclosed
US-6756406-B2 ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES; OSTEOARTHRITIS; INHIBITION OF THE INDUCIBLE NITRIC OXIDE SYNTHASE - INDUCED AFTER ACTIVATION OF VASCULAR SMOOTH MUSCLE, MACROPHAGES, ENDOTHELIAL CELLS BY ENOTOXIN AND CYTOKINES PHARMACIA CORPORATION 2004-06-29 US disclosed
US-20040087653-A1 Methods for the treatment of respiratory diseases and conditions with a selective iNOS inhibitor and a PDE inhibitor and compositions therefor MANNING PAMELA T (US) 2004-05-06 US disclosed
US-20040077639-A1 Methods for the treatment of respiratory diseases and conditions using a selective iNOS inhibitor MANNING PAMELA T (US) 2004-04-22 US disclosed
US-20030013702-A1 Agents and methods for treatment of cancer PHARMACIA CORPORATION 2003-01-16 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 (6 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 GGT1 438/4885ARG1 80/4885ARG2 50/4885
US-20030013702-A1 Agents and methods for treatment of cancer FAP, APC, PTGIS GGT1 141/4885ARG1 482/4885ARG2 315/4885
US-20040087653-A1 Methods for the treatment of respiratory diseases and conditions with a selective iNOS inhibitor and a PDE inhibitor and compositions therefor NOS2, NOS1, PDE3A GGT1 135/4885ARG1 21/4885ARG2 11/4885
US-20040077639-A1 Methods for the treatment of respiratory diseases and conditions using a selective iNOS inhibitor NOS2, NOS1, NOS3 GGT1 205/4885ARG1 9/4885ARG2 4/4885
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 GGT1 879/4885ARG1 200/4885ARG2 110/4885
US-20040127569-A1 Methods for treatment and prevention of gastrointestinal conditions SI, NOS2, NOS3 GGT1 57/4885ARG1 13/4885ARG2 15/4885

“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.