Sugi Predict

Sugi Predict / Compounds / SCHEMBL21248086

SCHEMBL21248086

SCHEMBL21248086

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ CHRM2 P08172 9/20 0.34
▸ CHRM4 P08173 8/20 0.34
▸ CHRM1 P11229 8/20 0.34
▸ CHRM3 P20309 7/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ APP P05067 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33

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
SCHEMBL21248087 1.00 MAPT (0.38) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL21264234 0.96 EGFR (0.36) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL21264232 0.96 EGFR (0.36) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL23010382 0.93 CHRM2 (0.35) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL21264172 0.93 CHRM2 (0.35) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL22975136 0.93 CHRM2 (0.35) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL23010364 0.93 EGFR (0.34) MAPTCHRM2CHRM4CHRM1CHRM3
SCHEMBL23010142 0.91 EGFR (0.37) MAPTALDH1A1GAAKDM4EAPP
SCHEMBL21248305 0.91 EGFR (0.37) MAPTALDH1A1GAAKDM4EAPP
SCHEMBL23010387 0.91 CHRM2 (0.33) MAPTCHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 MAPT 3648/4885CHRM2 4872/4885CHRM4 4782/4885
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DDOST, DAD1, DAO MAPT 3648/4885CHRM2 4872/4885CHRM4 4782/4885

“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.