SCHEMBL22975137

SCHEMBL22975137

N#C/C(=C\c1ccc(-c2ccc3c(c2)CCCN3CCC(=O)C(N)CCC[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 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.36
LMNA P02545 3/20 0.34
MAPT P10636 4/20 0.34
DNM1 Q05193 7/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 3/20 0.31
HSD17B10 Q99714 3/20 0.31
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
SMAD3 P84022 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 2/20 0.31

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
SCHEMBL22975138 1.00 EGFR (0.36) EGFRLMNAMAPTDNM1APP
SCHEMBL21248305 0.95 EGFR (0.37) EGFRLMNAMAPTDNM1APP
SCHEMBL23010142 0.95 EGFR (0.37) EGFRLMNAMAPTDNM1APP
SCHEMBL21264234 0.94 EGFR (0.36) EGFRLMNAMAPTDNM1APP
SCHEMBL21264232 0.94 EGFR (0.36) EGFRLMNAMAPTDNM1APP
SCHEMBL23010364 0.91 EGFR (0.34) EGFRLMNAMAPTDNM1APP
SCHEMBL21248086 0.91 MAPT (0.38) EGFRLMNAMAPTAPPALDH1A1
SCHEMBL21248087 0.91 MAPT (0.38) EGFRLMNAMAPTAPPALDH1A1
SCHEMBL22975139 0.88 EGFR (0.32) EGFRLMNAMAPT
SCHEMBL23010382 0.87 CHRM2 (0.35) LMNAMAPTALDH1A1KMT2AKDM4E

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-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

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 2759/4885MAPT 3648/4885
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DDOST, DAD1, DAO EGFR 2179/4885LMNA 2759/4885MAPT 3648/4885

“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.