SCHEMBL25877171

SCHEMBL25877171

C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)c1ccc3[nH]ncc3c1)C(C)(C)C)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.40
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MAPK14 Q16539 1/20 0.37
MAOB P27338 5/20 0.37
CYP3A4 P08684 1/20 0.37
METTL3 Q86U44 1/20 0.37
ANPEP P15144 1/20 0.37
CTSK P43235 1/20 0.36
MAOA P21397 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
SCHEMBL25881437 0.77 CTSK (0.43) CYP3A4CTSK
SCHEMBL25877211 0.76 HDAC1 (0.35) CTSK
SCHEMBL25881412 0.76 CTSK (0.38) CYP3A4CTSK
SCHEMBL25877198 0.72 CNR2 (0.42)
SCHEMBL14870493 0.69 CTSV (0.38) CYP3A4CTSK
SCHEMBL24690951 0.69 CTSV (0.50) CYP3A4CTSK
SCHEMBL24961108 0.69 CTSV (0.50) CYP3A4CTSK
SCHEMBL27349036 0.68 ELANE (0.39) CTSK
SCHEMBL5418713 0.68 ROCK2 (0.58) ROCK2ROCK1CYP2D6SLC6A2SLC6A4
SCHEMBL25881278 0.68 CTSV (0.42) CYP3A4CTSK

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 AKT1 3977/4885ROCK2 4337/4885ROCK1 3779/4885

“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.