SCHEMBL29596201

SCHEMBL29596201

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
ALDH1A1 P00352 1/20 0.45
ARG1 P05089 1/20 0.35

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
SCHEMBL9953134 0.85 CA2 (0.44) CA2ALDH1A1ARG1
SCHEMBL221780 0.78 ARG1 (0.33) CA2ARG1
SCHEMBL11872935 0.76 ALDH1A1 (0.47) CA2ALDH1A1
SCHEMBL7205373 0.76 ARG1 (0.32) CA2ARG1
SCHEMBL8315548 0.75 ARG1 (0.33) CA2ARG1
SCHEMBL21826801 0.72
SCHEMBL8555178 0.69
SCHEMBL8556536 0.69
SCHEMBL7204059 0.68 CA2 (0.33) CA2ARG1
Sulfuric Acid SCHEMBL3201019 0.68 ALDH1A1 (0.45) CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CA2 952/4885ALDH1A1 2722/4885ARG1 1450/4885

“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.