SCHEMBL5839573

SCHEMBL5839573

CC(=N)NCC#CCC(C)(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
BLM P54132 1/20 0.32

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
SCHEMBL7072467 0.87 GGT1 (0.35) GGT1ARG1ARG2
SCHEMBL7069203 0.87 GGT1 (0.35) GGT1ARG1ARG2
SCHEMBL5838684 0.83
SCHEMBL6190037 0.83 GGT1 (0.44) GGT1ARG1ARG2BLM
Hydrochloric Acid SCHEMBL27598214 0.81 GGT1 (0.43) GGT1ARG1ARG2
Hydrochloric Acid SCHEMBL6191553 0.81 GGT1 (0.43) GGT1ARG1ARG2
SCHEMBL15304927 0.73 GGT1 (0.39) GGT1ARG1ARG2BLM
SCHEMBL6130486 0.72 GGT1 (0.33) GGT1ARG1ARG2BLM
SCHEMBL2757819 0.70 ARG1 (0.54) GGT1ARG1ARG2BLM
SCHEMBL2712951 0.69 ARG1 (0.53) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005450-B2 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2006-02-28 US claimed
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-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents PHARMACIA CORPORATION 2005-09-15 US claimed
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 WO claimed
EP-1506040-A2 SELECTIVE INOS INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES AND CONDITIONS Pharmacia Corporation (US) 2005-02-16 EP claimed
US-20040192779-A1 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors DURLEY RICHARD C (US) 2004-09-30 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
WO-2003097163-A2 USING A SELECTIVE INOS INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES AND CONDITIONS PHARMACIA CORPORATION (US) 2003-11-27 WO claimed
EP-1317416-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-09-12 US claimed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
US-7012098-B2 Inhibitors of inducible nitric oxide synthase for chemoprevention and treatment of cancers PHARMACIA CORPORATION (US) 2006-03-14 US disclosed
US-7005450-B2 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2006-02-28 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
EP-1463495-A4 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORP (US) 2005-11-16 EP disclosed
US-20030013702-A1 Agents and methods for treatment of cancer PHARMACIA CORPORATION 2003-01-16 US disclosed
WO-2002076395-A2 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-03 WO disclosed
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-09-12 US disclosed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 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 (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-20030013702-A1 Agents and methods for treatment of cancer FAP, APC, PTGIS GGT1 141/4885ARG1 482/4885ARG2 315/4885
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-20040192779-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-20020128510-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-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-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents NOS2, NOS1, NOS3 GGT1 276/4885ARG1 5/4885ARG2 9/4885

“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.