SCHEMBL25877211

SCHEMBL25877211

C[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)c1ccc3cncn3c1)C(C)(C)C)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
CTSK P43235 2/20 0.35
NAMPT P43490 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ELANE P08246 1/20 0.34
CMA1 P23946 1/20 0.34
CTSS P25774 1/20 0.34
CTSF Q9UBX1 1/20 0.34

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
SCHEMBL25881437 0.78 CTSK (0.43) CTSKCTSVCTSS
SCHEMBL25877171 0.76 AKT1 (0.40) CTSK
SCHEMBL25881412 0.73 CTSK (0.38) CTSKCTSVCTSS
SCHEMBL14870493 0.70 CTSV (0.38) CTSKCTSVCTSLCTSBELANE
SCHEMBL24690951 0.70 CTSV (0.50) CTSKCTSVCTSS
SCHEMBL16867326 0.70 ELANE (0.55) CTSKCTSVCTSLCTSBELANE
SCHEMBL24961108 0.70 CTSV (0.50) CTSKCTSVCTSS
SCHEMBL25877198 0.69 CNR2 (0.42) HDAC1
SCHEMBL27349036 0.69 ELANE (0.39) CTSKCTSVCTSLCTSBELANE
SCHEMBL25881278 0.69 CTSV (0.42) CTSKCTSVCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-07-27 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-20230234921-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF SERPINB1, CTSV, CTSE HDAC1 1112/4885CTSK 48/4885NAMPT 1071/4885

“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.