SCHEMBL7226602

SCHEMBL7226602

CC(CC(N)(CO)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.40
ARG1 P05089 2/20 0.39
ARG2 P78540 2/20 0.39
CYP1A2 P05177 2/20 0.35
ENPEP Q07075 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
LTA4H P09960 1/20 0.32
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
BLM P54132 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL7226603 1.00 GABRR1 (0.40) GABRR1ARG1ARG2CYP1A2ENPEP
SCHEMBL7234392 1.00 GABRR1 (0.40) GABRR1ARG1ARG2CYP1A2ENPEP
SCHEMBL1301353 0.83 CYP1A2 (0.48) GABRR1ARG1ARG2CYP1A2ENPEP
SCHEMBL3100826 0.83 GRM2 (0.42) ARG1ARG2CYP1A2MEN1ALDH1A1
SCHEMBL3100821 0.83 GRM2 (0.42) ARG1ARG2CYP1A2MEN1ALDH1A1
SCHEMBL1301385 0.80 CYP1A2 (0.41) GABRR1ARG1ARG2CYP1A2ENPEP
SCHEMBL7386541 0.76 GABRR1 (0.44) GABRR1CYP1A2ENPEPGRM2GRM3
SCHEMBL1300782 0.74 GABRR1 (0.43) GABRR1ARG1ARG2CYP1A2ENPEP
SCHEMBL10443300 0.74 GABRR1 (0.43) GABRR1ARG1ARG2CYP1A2ENPEP
SCHEMBL10498366 0.74 GABRR1 (0.43) GABRR1ARG1ARG2CYP1A2ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599940-B2 Neurotransmitters GEORGETOWN UNIVERSITY 2003-07-29 US disclosed
US-20020147362-A1 Synthesis of 2-Hydroxymethylglutamic acid and congeners thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002022622-A2 SYNTHESIS OF 2-HYDROXYMETHYLGLUTAMIC ACID AND CONGENERS THEREOF GEORGETOWN UNIVERSITY (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 (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-20020147362-A1 Synthesis of 2-Hydroxymethylglutamic acid and congeners thereof OGDH, FPGS, GGCT GABRR1 1607/4885ARG1 2961/4885ARG2 978/4885

“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.