SCHEMBL13355339

SCHEMBL13355339

COCC[C@@](C)(OC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
PPARA Q07869 1/20 0.30
HPGD P15428 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
SCHEMBL15603211 0.83 GGT1 (0.31) ARG1ARG2GAATSHR
SCHEMBL13323585 0.79 ALDH1A1 (0.35) ALDH1A1GAATSHR
SCHEMBL7031959 0.79 LMNA (0.38) ALDH1A1GAATSHRCYP2D6CYP2C19
SCHEMBL1739828 0.79 LMNA (0.38) ALDH1A1GAATSHRCYP2D6CYP2C19
SCHEMBL11337371 0.76 TET2 (0.41) ARG1ARG2ALDH1A1GAATSHR
SCHEMBL7262162 0.76 TSHR (0.35) ALDH1A1GAATSHRCYP2D6CYP2C19
SCHEMBL5054085 0.76 ACLY (0.43) ARG1ARG2ALDH1A1TSHRCYP2D6
SCHEMBL1930752 0.76 ALDH1A1 (0.37) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28055047 0.74 ACLY (0.42) ARG1ARG2ALDH1A1TSHRPPARA
SCHEMBL7696692 0.74 MAPK1 (0.33) GAA

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-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 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 (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-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 ARG1 633/4885ARG2 662/4885ALDH1A1 432/4885

“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.