SCHEMBL25880760

SCHEMBL25880760

Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C)C3(C)C)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL25880720 0.91 MMP13 (0.38) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25878005 0.89 MMP13 (0.40) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25877328 0.89 MMP7 (0.42) MMP13MMP1MMP2MMP3MMP7
SCHEMBL30787103 0.87 CTSV (0.39) MMP13
SCHEMBL25877986 0.86 SLC1A3 (0.38)
SCHEMBL25878425 0.86 CTSV (0.31)
SCHEMBL26270003 0.86 ALDH1A1 (0.36) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25878684 0.84 NR3C1 (0.35) MMP13MMP1MMP2MMP9CA1
SCHEMBL25664730 0.84 CTSV (0.33)
SCHEMBL25878180 0.83 ALDH1A1 (0.34) HTT

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 MMP13 130/4885MMP1 127/4885MMP2 58/4885

“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.