SCHEMBL5845327

SCHEMBL5845327

CC(=N)NC/C(F)=C/CC(C)(N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.34
ARG1 P05089 1/20 0.32
ARG2 P78540 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
SCHEMBL6378582 1.00 GGT1 (0.34) GGT1ARG1ARG2
SCHEMBL6378587 1.00 GGT1 (0.34) GGT1ARG1ARG2
SCHEMBL5845322 1.00 GGT1 (0.34) GGT1ARG1ARG2
SCHEMBL5830041 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6059928 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6193056 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6192147 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL5830037 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6192143 0.85 GGT1 (0.39) GGT1ARG1ARG2
SCHEMBL6059925 0.85 GGT1 (0.39) 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 8 patents. 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-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
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-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-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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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

“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.