SCHEMBL25664460

SCHEMBL25664460

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 2/20 0.35
HTR6 P50406 2/20 0.34
KAT6A Q92794 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
CFTR P13569 2/20 0.32
STS P08842 1/20 0.32

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
SCHEMBL25664303 0.89 MMP13 (0.37) ALDH1A1HSD11B1MMP1MMP2MMP3
SCHEMBL25664562 0.88 SLC1A3 (0.37) HSD11B1MMP1MMP2MMP3MMP9
SCHEMBL25877760 0.87 HSD11B1 (0.36) ALDH1A1HSD11B1HTR6MMP1MMP2
SCHEMBL26270003 0.84 ALDH1A1 (0.36) ALDH1A1MMP1MMP2MMP3MMP7
SCHEMBL25664722 0.82
SCHEMBL25880993 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25664761 0.80 CMA1 (0.40) HTR6HTR7
SCHEMBL25664781 0.79 NR3C1 (0.34) MMP1MMP2MMP9MMP13
SCHEMBL25664645 0.79 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL25664850 0.78

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-20230159451-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-05-25 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-20230159451-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF SERPINB1, CTSV, CTSE ALDH1A1 2826/4885HSD11B1 3617/4885HTR6 3228/4885

“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.