SCHEMBL25880702

SCHEMBL25880702

C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NS(=O)(=O)c1cccnc1)C(C)(C)C)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
S1PR1 P21453 1/20 0.34
FPR1 P21462 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NAMPT P43490 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25880760 0.83 MMP13 (0.37) HSD17B10
SCHEMBL25877760 0.83 HSD11B1 (0.36)
SCHEMBL25880720 0.82 MMP13 (0.38) SLC1A3SLC1A2SLC1A1
SCHEMBL25877935 0.82 CTSV (0.43) CYP3A4
SCHEMBL25878425 0.82 CTSV (0.31)
SCHEMBL25877328 0.81 MMP7 (0.42) ADAM17SLC1A3SLC1A2SLC1A1
SCHEMBL25878005 0.81 MMP13 (0.40) ADAM17SLC1A3SLC1A2SLC1A1
SCHEMBL25877986 0.80 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1
SCHEMBL25878212 0.80
SCHEMBL25664730 0.80 CTSV (0.33)

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 ADAM17 31/4885SLC1A3 3597/4885SLC1A2 4302/4885

“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.