SCHEMBL29640270

SCHEMBL29640270

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2c(ccc3c(C#N)cnn32)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.37
▸ CTSL P07711 12/20 0.35
▸ CTSB P07858 7/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSK P43235 6/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL21112618 0.91 CTSS (0.37) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112622 0.91 CTSS (0.37) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL29640198 0.84 AAK1 (0.34) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL20908216 0.81 MMP1 (0.36) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL29640227 0.81 MMP1 (0.36) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21149528 0.78 KDM4E (0.32) —
SCHEMBL28399073 0.78 KDM4E (0.32) —
SCHEMBL29640241 0.78 MEN1 (0.37) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL20907560 0.78 MEN1 (0.37) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL28407708 0.78 MEN1 (0.37) CTSSCTSLCTSBMEN1KMT2A

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 2 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

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 CTSS 27/4885CTSL 41/4885CTSB 37/4885

“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.

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