SCHEMBL4332705

SCHEMBL4332705

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.52
ARG1 P05089 2/20 0.47
ARG2 P78540 2/20 0.47
NOS2 P35228 3/20 0.39
NOS1 P29475 2/20 0.39
BLM P54132 3/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CA1 P00915 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL27598551 1.00 GGT1 (0.52) GGT1ARG1ARG2NOS2NOS1
SCHEMBL4291015 0.84 GGT1 (0.50) GGT1ARG1ARG2NOS2NOS1
SCHEMBL27620495 0.84 ARG1 (0.55) GGT1ARG1ARG2NOS2NOS1
SCHEMBL27620423 0.83 GGT1 (0.42) GGT1ARG1ARG2NOS2NOS1
SCHEMBL19975107 0.82 BLM (0.53) GGT1ARG1ARG2NOS2NOS1
SCHEMBL27620482 0.81 GGT1 (0.47) GGT1ARG1ARG2NOS2NOS1
SCHEMBL1816172 0.81 GGT1 (0.47) GGT1ARG1ARG2NOS2NOS1
SCHEMBL19940213 0.81 GGT1 (0.47) GGT1ARG1ARG2NOS2NOS1
SCHEMBL28943929 0.80 GGT1 (0.50) GGT1ARG1ARG2NOS2NOS1
SCHEMBL8687592 0.80 GGT1 (0.65) GGT1ARG1ARG2NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 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-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 GGT1 1955/4885ARG1 18/4885ARG2 109/4885

“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.