SCHEMBL5830037

SCHEMBL5830037

CC(=N)NC/C(F)=C\CC[C@](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
ACLY P53396 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
SCHEMBL6193056 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLY
SCHEMBL6059925 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLY
SCHEMBL6059928 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLY
SCHEMBL5830041 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLY
SCHEMBL6192147 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLY
SCHEMBL6192143 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLY
Hydrochloric Acid SCHEMBL6191468 0.99 GGT1 (0.38) GGT1ARG1ARG2ACLY
Hydrochloric Acid SCHEMBL6194565 0.99 GGT1 (0.38) GGT1ARG1ARG2ACLY
SCHEMBL6191048 0.86
SCHEMBL27557670 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951889-B2 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-10-04 US claimed
US-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents PHARMACIA CORPORATION 2005-09-15 US claimed
US-20050113451-A1 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-05-26 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-1317421-B1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORP (US) 2005-02-23 EP claimed
US-20040225150-A1 Methods for selectively removing counterions from compounds and compounds derived from such methods PHARMACIA & UPJOHN COMPANY 2004-11-11 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
EP-1317421-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-09-19 US claimed
WO-2002022562-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC 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-6995281-B2 Methods for selectively removing counterions from compounds and compounds derived from such methods PFIZER, INC. (US) 2006-02-07 US disclosed
EP-1463495-A4 AGENTS AND METHODS FOR TREATMENT OF CANCER PHARMACIA CORP (US) 2005-11-16 EP disclosed
US-6951889-B2 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-10-04 US disclosed
US-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents PHARMACIA CORPORATION 2005-09-15 US disclosed
WO-2003026638-A1 NEUROPROTECTIVE TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026668-A1 OPHTHALMOLOGIC TREATMENT METHODS USING SELECTIVE INOS INHIBITORS PHARMACIA CORPORATION (US) 2003-04-03 WO 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-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-09-19 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-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-20050203082-A1 Combination therapy with inhibitors of inducible nitric oxide synthase and alkylating agents NOS2, NOS1, NOS3 GGT1 276/4885ARG1 5/4885ARG2 9/4885
US-20040225150-A1 Methods for selectively removing counterions from compounds and compounds derived from such methods BHMT2, MGMT, BHMT GGT1 355/4885ARG1 1652/4885ARG2 363/4885
US-20020132849-A1 2-Amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, ALOX5, ALOX15 GGT1 803/4885ARG1 583/4885ARG2 275/4885
US-20050113451-A1 2-amino-2-alkyl-5 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, ALOX5, ALOX15 GGT1 803/4885ARG1 583/4885ARG2 275/4885

“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.