SCHEMBL25877198

SCHEMBL25877198

C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)c1cc3ccccc3n1C)C(C)(C)C)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
PHGDH O43175 1/20 0.42
TRPA1 O75762 1/20 0.40
CHRNA7 P36544 1/20 0.39
MCL1 Q07820 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL25879425 0.82 CTSV (0.49)
SCHEMBL25881412 0.74 CTSK (0.38)
SCHEMBL25881437 0.73 CTSK (0.43)
SCHEMBL25877171 0.72 AKT1 (0.40)
SCHEMBL26269872 0.72 SLC1A3 (0.40)
SCHEMBL14870493 0.71 CTSV (0.38)
SCHEMBL24961108 0.71 CTSV (0.50)
SCHEMBL24690951 0.71 CTSV (0.50)
SCHEMBL25877347 0.70 GAA (0.40)
SCHEMBL27349036 0.70 ELANE (0.39)

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 CNR2 4402/4885PHGDH 2394/4885TRPA1 3761/4885

“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.