SCHEMBL21046322

SCHEMBL21046322

CC(O)(C(F)F)C(NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.45
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
MAP3K5 Q99683 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19534339 1.00 AOC2 (0.45) AOC2MAPTRAB9AALDH1A1MEN1
SCHEMBL21046323 1.00 AOC2 (0.45) AOC2MAPTRAB9AALDH1A1MEN1
SCHEMBL19520703 0.81 ADAMTS5 (0.47) RAB9AALDH1A1TDP1LMNA
SCHEMBL19520702 0.81 ADAMTS5 (0.47) RAB9AALDH1A1TDP1LMNA
SCHEMBL19534376 0.81 ADAMTS5 (0.47) RAB9AALDH1A1TDP1LMNA
SCHEMBL21046309 0.78
SCHEMBL21046310 0.78
SCHEMBL21046311 0.78
SCHEMBL254900 0.78 ANPEP (0.39) RAB9A
SCHEMBL19534372 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4286001-A2 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME Duke University (US) 2023-12-06 EP disclosed
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY (US) 2021-07-08 US disclosed
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2021-06-15 US disclosed
US-10550074-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2020-02-04 US disclosed
US-20190169114-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY 2019-06-06 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 (4 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-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same B3GAT3, GLO1, GLMN AOC2 1902/4885MAPT 4583/4885RAB9A 1659/4885
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN AOC2 1902/4885MAPT 4583/4885RAB9A 1659/4885
US-20190169114-A1 Benzoylglycine Derivatives and Methods of Making and Using Same B3GAT3, GLO1, GLMN AOC2 1902/4885MAPT 4583/4885RAB9A 1659/4885
US-10550074-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN AOC2 1902/4885MAPT 4583/4885RAB9A 1659/4885

“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.