SCHEMBL25877760

SCHEMBL25877760

C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(C)(C)C)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
HTR6 P50406 2/20 0.35
SLC10A2 Q12908 1/20 0.34
SLC10A1 Q14973 1/20 0.34
SLC10A6 Q3KNW5 1/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
DPP4 P27487 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
SCHEMBL25880720 0.88 MMP13 (0.38) ALDH1A1MMP1MMP2MMP3MMP7
SCHEMBL25877986 0.88 SLC1A3 (0.38) HSD11B1
SCHEMBL25664460 0.87 ALDH1A1 (0.36) HSD11B1ALDH1A1MMP1MMP2MMP3
SCHEMBL25880760 0.83 MMP13 (0.37) MMP1MMP2MMP3MMP7MMP9
SCHEMBL25880702 0.83 ADAM17 (0.40)
SCHEMBL25877328 0.83 MMP7 (0.42) MMP1MMP2MMP3MMP7MMP9
SCHEMBL25878425 0.82 CTSV (0.31)
SCHEMBL25878005 0.81 MMP13 (0.40) ALDH1A1MMP1MMP2MMP3MMP7
SCHEMBL25878129 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26269872 0.80 SLC1A3 (0.40)

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 HSD11B1 3617/4885ALDH1A1 2826/4885MMP1 127/4885

“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.