SCHEMBL21046337

SCHEMBL21046337

CC(O)(C(F)F)[C@H](NC(=O)c1ccc(-c2ccccc2F)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ANPEP P15144 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL19520682 1.00 NPC1 (0.50) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL19520681 1.00 NPC1 (0.50) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL19520702 0.87 ADAMTS5 (0.47) NPC1RAB9AALDH1A1NPSR1ANPEP
SCHEMBL19534376 0.87 ADAMTS5 (0.47) NPC1RAB9AALDH1A1NPSR1ANPEP
SCHEMBL19520703 0.87 ADAMTS5 (0.47) NPC1RAB9AALDH1A1NPSR1ANPEP
SCHEMBL21082083 0.85 ALDH1A1 (0.46) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL21046303 0.85 ALDH1A1 (0.46) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL31078987 0.85 ALDH1A1 (0.46) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL19520686 0.85 ALDH1A1 (0.46) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL19520685 0.85 ALDH1A1 (0.46) NPC1PKMRAB9AALDH1A1MAPT

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 NPC1 3680/4885PKM 1890/4885RAB9A 1659/4885
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN NPC1 3680/4885PKM 1890/4885RAB9A 1659/4885
US-20190169114-A1 Benzoylglycine Derivatives and Methods of Making and Using Same B3GAT3, GLO1, GLMN NPC1 3680/4885PKM 1890/4885RAB9A 1659/4885
US-10550074-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN NPC1 3680/4885PKM 1890/4885RAB9A 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.