SCHEMBL25878005

SCHEMBL25878005

COc1ccc(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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.40
MMP9 P14780 11/20 0.40
MMP3 P08254 11/20 0.40
MMP1 P03956 11/20 0.40
MMP2 P08253 11/20 0.40
MMP7 P09237 9/20 0.40
MMP8 P22894 8/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MMP12 P39900 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
STS P08842 1/20 0.38
ADAM17 P78536 1/20 0.38

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 0.89 MMP13 (0.37) MMP13MMP9MMP3MMP1MMP2
SCHEMBL25880720 0.88 MMP13 (0.38) MMP13MMP9MMP3MMP1MMP2
SCHEMBL25877328 0.86 MMP7 (0.42) MMP13MMP9MMP3MMP1MMP2
SCHEMBL25877986 0.83 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL25878425 0.83 CTSV (0.31)
SCHEMBL25878269 0.81 HCRTR1 (0.30)
SCHEMBL25880702 0.81 ADAM17 (0.40) SLC1A3SLC1A2SLC1A1ADAM17
SCHEMBL25877760 0.81 HSD11B1 (0.36) MMP13MMP9MMP3MMP1MMP2
SCHEMBL25664730 0.79 CTSV (0.33)
SCHEMBL25878684 0.78 NR3C1 (0.35) MMP13MMP9MMP1MMP2MMP8

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 130/4885MMP9 179/4885MMP3 103/4885

“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.