SCHEMBL25880720

SCHEMBL25880720

C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)(C)C)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP9 P14780 2/20 0.38
CAPN1 P07384 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
RORC P51449 1/20 0.34
APP P05067 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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 0.91 MMP13 (0.37) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25877328 0.90 MMP7 (0.42) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25877986 0.89 SLC1A3 (0.38) KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL25877760 0.88 HSD11B1 (0.36) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25878005 0.88 MMP13 (0.40) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25664303 0.86 MMP13 (0.37) MMP13MMP1MMP2MMP3MMP7
SCHEMBL25878425 0.85 CTSV (0.31)
SCHEMBL25878129 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25880702 0.82 ADAM17 (0.40) SLC1A3SLC1A2SLC1A1
SCHEMBL25664730 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760722-B2 Inhibitors of cysteine proteases and methods of use thereof ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-09-19 US disclosed
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 (2 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
US-11760722-B2 Inhibitors of cysteine proteases and methods of use thereof SERPINB1, PREP, DNPEP MMP13 181/4885MMP1 117/4885MMP2 54/4885

“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.