SCHEMBL1916741

SCHEMBL1916741

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.45
ARG2 P78540 2/20 0.45
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ODC1 P11926 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
SCHEMBL4558784 0.77 MEN1 (0.38) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL1915862 0.76 ARG2 (0.47) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL14764832 0.76 ARG1 (0.43) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL14764529 0.74 MEN1 (0.52) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL1916175 0.73 ARG2 (0.53) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL7362369 0.71 ARG1 (0.39) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL25660733 0.70 GGT1 (0.52) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL31688814 0.70 GGT1 (0.52) ARG1ARG2ALDH1A1MEN1CYP1A2
SCHEMBL1739397 0.69 ARG1 (0.88) ARG1ARG2
SCHEMBL2049448 0.68 CYP1A2 (0.33) ARG1ARG2ALDH1A1MEN1CYP1A2

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-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES 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 ARG1 1568/4885ARG2 538/4885ALDH1A1 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.