SCHEMBL28402028

SCHEMBL28402028

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2nc(N)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ AAK1 Q2M2I8 4/20 0.35
▸ ATM Q13315 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ BACE1 P56817 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
SCHEMBL20907561 1.00 PLAU (0.39) PLAUMEN1KMT2ACTSSAAK1
SCHEMBL20907560 0.90 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM
SCHEMBL28407708 0.90 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM
SCHEMBL29640241 0.90 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM
SCHEMBL23114825 0.90 MEN1 (0.38) MEN1KMT2ACTSSAAK1ATM
SCHEMBL21112560 0.89 PLAU (0.41) PLAUMEN1KMT2ACTSSMCHR1
SCHEMBL21112557 0.89 PLAU (0.41) PLAUMEN1KMT2ACTSSMCHR1
SCHEMBL28405383 0.89 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM
SCHEMBL20907699 0.89 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM
SCHEMBL29640325 0.89 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PLAU 566/4885MEN1 2814/4885KMT2A 1556/4885

“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.

Send feedback