SCHEMBL13612429

SCHEMBL13612429

CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC[Cr]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.68
CTSS P25774 4/20 0.68
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CYP2D6 P10635 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PREP P48147 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TRPA1 O75762 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL8276584 0.85 CTSK (0.70) CTSKCTSSCA2CA1CA7
SCHEMBL16710009 0.85 CTSK (0.70) CTSKCTSSCA2CA1CA7
SCHEMBL6295277 0.84 CTSK (0.68) CTSKCTSSCA2CA1CA7
SCHEMBL13612436 0.83 KMT2A (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL9788528 0.83 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL1003572 0.83 CTSK (0.71) CTSKCTSSCA2CA1CA7
SCHEMBL5559974 0.83 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL4470428 0.83 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL30770053 0.83 CTSK (0.67) CTSKCTSSCA2CA1CA7
SCHEMBL30770075 0.83 CTSK (0.67) CTSKCTSSCA2CA1CA7

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
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 CTSK 3928/4885CTSS 3591/4885CA2 2821/4885

“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.