SCHEMBL28404543

SCHEMBL28404543

CC(CC#N)C[C@](NC(=S)NC(=O)OCc1ccccc1)(C(=O)OC(C)C)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.34
▸ EP300 Q09472 4/20 0.33
▸ CTSL P07711 8/20 0.32
▸ CTSB P07858 4/20 0.32
▸ ELANE P08246 2/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31
▸ CTSK P43235 3/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL21112135 0.93 CTSS (0.36) CTSSEP300CTSLCTSBCCNK
SCHEMBL29640364 0.89 ELANE (0.31) ELANEMGLLROCK2
SCHEMBL28402063 0.87 ELANE (0.33) CTSSEP300ELANEMGLLROCK2
SCHEMBL21148892 0.87 ELANE (0.33) CTSSEP300ELANEMGLLROCK2
SCHEMBL21112313 0.82 MGLL (0.32) EP300ELANEMGLLROCK2
SCHEMBL20900263 0.81 MGLL (0.35) CTSSEP300CTSLCTSBELANE
SCHEMBL20900266 0.81 MGLL (0.35) CTSSEP300CTSLCTSBELANE
SCHEMBL23114939 0.79 MEN1 (0.37) CTSSEP300ELANEMGLLROCK2
SCHEMBL21149554 0.79 MEN1 (0.37) CTSSEP300ELANEMGLLROCK2
SCHEMBL29640161 0.79 EP300 (0.35) CTSSEP300CTSLCTSBELANE

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
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 CTSS 27/4885EP300 880/4885CTSL 41/4885

“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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