SCHEMBL22160063

SCHEMBL22160063

CC1C=C(CC(NC(=O)OC(C)(C)C)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.46
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 2/20 0.42
▸ PPARA Q07869 6/20 0.42
▸ PPARG P37231 5/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 2/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 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
SCHEMBL16119132 1.00 ACE (0.46) ACEITGB3ITGA2BMAPK1KMT2A
SCHEMBL16119166 0.83 PSMB8 (0.36) ACECTSSCTSKIDO1CTSL
SCHEMBL14118068 0.77 ACE (0.48) ACEITGB3ITGA2BMAPK1PPARA
SCHEMBL16119290 0.77 ACE (0.48) ACEITGB3ITGA2BMAPK1PPARA
SCHEMBL16228847 0.77 ACE (0.48) ACEITGB3ITGA2BMAPK1PPARA
SCHEMBL19316062 0.77 KLK5 (0.43) CTSSCTSKCTSLCTSB
SCHEMBL17474140 0.75 ACE (0.46) ACEITGB3ITGA2BMAPK1KMT2A
SCHEMBL12940447 0.73 ACE (0.47) ACEITGB3ITGA2BMAPK1KMT2A
SCHEMBL11349136 0.73 ACE (0.47) ACEITGB3ITGA2BMAPK1PPARA
SCHEMBL26980917 0.73 ACE (0.47) ACEITGB3ITGA2BMAPK1PPARA

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-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 — — US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 — — 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 (2 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP ACE 35/4885ITGB3 4686/4885ITGA2B 4664/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ACE 35/4885ITGB3 4686/4885ITGA2B 4664/4885

“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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