SCHEMBL25075892

SCHEMBL25075892

COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTSL P07711 2/20 0.40
CTSK P43235 4/20 0.40
CTSS P25774 3/20 0.40
PSENEN Q9NZ42 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
PREP P48147 1/20 0.38
CTSB P07858 1/20 0.37
ELANE P08246 1/20 0.37
KLK5 Q9Y337 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL25075893 0.87 CTSK (0.43) CTSLCTSKCTSSCA1CA2
SCHEMBL5142562 0.81 CTSK (0.45) CA12CA14CTSLCTSKCTSS
SCHEMBL5145931 0.81 CTSK (0.45) CA12CA14CTSLCTSKCTSS
SCHEMBL31703912 0.81 CTSK (0.45) CA12CA14CTSLCTSKCTSS
SCHEMBL15510764 0.81 CTSK (0.45) CA12CA14CTSLCTSKCTSS
SCHEMBL5145936 0.81 CTSK (0.45) CA12CA14CTSLCTSKCTSS
SCHEMBL15510765 0.81 CTSK (0.45) CA12CA14CTSLCTSKCTSS
SCHEMBL28252010 0.80 CTSK (0.44) CA12CA14CTSLCTSKCTSS
SCHEMBL30170429 0.79 KMT2A (0.43) CA12CA14CTSLCTSKCTSS
SCHEMBL31228503 0.79 CA12 (0.44) CA12CA14CTSLCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240277795-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF PARDES BIOSCIENCES INC (US) 2024-08-22 US disclosed
EP-4387980-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-06-26 EP disclosed
CN-118159548-A Antiviral compounds 安力高医药股份有限公司 2024-06-07 CN disclosed
EP-4366831-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2024-05-15 EP disclosed
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed
WO-2023283256-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-01-12 WO 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-20240277795-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CPN1, CTSL CA12 968/4885CA14 568/4885CTSL 3/4885

“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.