SCHEMBL2049448

SCHEMBL2049448

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL8998339 0.83 CYP1A2 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL4558784 0.79 MEN1 (0.38) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL14764529 0.75 MEN1 (0.52) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL15918906 0.75 MEN1 (0.33) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL1915859 0.72 ARG1 (0.37) CYP1A2ARG1ARG2
SCHEMBL7382813 0.70 GRM2 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL1915862 0.69 ARG2 (0.47) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL5014848 0.69 ARG1 (0.46) CYP1A2GRM2GRM3ARG1ARG2
SCHEMBL14764832 0.69 ARG1 (0.43) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL9458295 0.69 GRM2 (0.38) CYP1A2MEN1ALDH1A1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CYP1A2 180/4885MEN1 1084/4885ALDH1A1 623/4885

“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.