SCHEMBL23626445

SCHEMBL23626445

C[C@@](O)(C(F)F)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ADAMTS5 Q9UNA0 2/20 0.46
ADAMTS4 O75173 1/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CA2 P00918 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL19534376 0.86 ADAMTS5 (0.47) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL19520703 0.86 ADAMTS5 (0.47) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL19520702 0.86 ADAMTS5 (0.47) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL21082225 0.86 ALDH1A1 (0.47) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL19534377 0.86 ALDH1A1 (0.47) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL16511799 0.83 NPC1 (0.50) NPC1RAB9ALMNARXFP1SMN1; SMN2
SCHEMBL21046252 0.82 ADAMTS5 (0.43) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL19520694 0.82 ADAMTS5 (0.43) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL19520692 0.82 ADAMTS5 (0.43) HPGDSNPC1RAB9AADAMTS5ADAMTS4
SCHEMBL21082092 0.78 ANPEP (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY (US) 2021-07-08 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 (1 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 HPGDS 918/4885NPC1 3680/4885RAB9A 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.