SCHEMBL21264232

SCHEMBL21264232

N#C/C(=C\c1ccc(-c2ccc3c(c2)CCCN3CCC(=O)NCCCC[C@@H](N)C(=O)O)s1)C(=O)NCCCC[C@@H](N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.36
LMNA P02545 1/20 0.34
CHRM2 P08172 4/20 0.34
CHRM4 P08173 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
MAPT P10636 1/20 0.34
DNM1 Q05193 4/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL21264234 1.00 EGFR (0.36) EGFRLMNACHRM2CHRM4CHRM1
SCHEMBL23010364 0.97 EGFR (0.34) EGFRLMNACHRM2CHRM4CHRM1
SCHEMBL21248087 0.96 MAPT (0.38) EGFRLMNACHRM2CHRM4CHRM1
SCHEMBL21248086 0.96 MAPT (0.38) EGFRLMNACHRM2CHRM4CHRM1
SCHEMBL23010142 0.95 EGFR (0.37) EGFRLMNAMAPTDNM1APP
SCHEMBL21248305 0.95 EGFR (0.37) EGFRLMNAMAPTDNM1APP
SCHEMBL22975137 0.94 EGFR (0.36) EGFRLMNAMAPTDNM1APP
SCHEMBL22975138 0.94 EGFR (0.36) EGFRLMNAMAPTDNM1APP
SCHEMBL23010382 0.93 CHRM2 (0.35) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL21264172 0.93 CHRM2 (0.35) LMNACHRM2CHRM4CHRM1CHRM3

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-11168077-B2 Molecular rotor-based D-amino acids as tools for imaging peptidoglycan biosynthesis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-11-09 US disclosed
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-02-18 US disclosed
WO-2019157233-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-08-15 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 (2 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-11168077-B2 Molecular rotor-based D-amino acids as tools for imaging peptidoglycan biosynthesis DDOST, DAD1, DAO EGFR 2179/4885LMNA 2759/4885CHRM2 4872/4885
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DDOST, DAD1, DAO EGFR 2179/4885LMNA 2759/4885CHRM2 4872/4885

“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.