SCHEMBL25877995

SCHEMBL25877995

C[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NS(=O)(=O)c1cccs1)C(C)(C)C)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 1/20 0.39
ADAM17 P78536 1/20 0.39
TP53 P04637 2/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2D6 P10635 2/20 0.37
APP P05067 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
USP2 O75604 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
SCHEMBL25881073 0.84 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL25878180 0.84 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL25877474 0.83 PSEN1 (0.37) GAATDP1KMT2AMAPTALDH1A1
SCHEMBL25878212 0.83
SCHEMBL25881065 0.83 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL25878129 0.83 ALDH1A1 (0.33) CYP3A4ALDH1A1LMNA
SCHEMBL25878425 0.83 CTSV (0.31)
SCHEMBL25878134 0.83 CTSV (0.30)
SCHEMBL25880760 0.81 MMP13 (0.37)
SCHEMBL25877328 0.80 MMP7 (0.42) GAAADAM17SLC1A3SLC1A2SLC1A1

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 GAA 173/4885TDP1 1418/4885KMT2A 4465/4885

“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.