SCHEMBL7458024

SCHEMBL7458024

CC(C)CCN(c1cccc(CC(C)CNC(=O)[C@@H](CC(N)=O)NC(=O)OCc2ccccc2)c1O)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.43
PSMB1 P20618 1/20 0.42
CA1 P00915 2/20 0.41
NMBR P28336 1/20 0.41
CA5A P35218 1/20 0.40
CTSK P43235 5/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
CASP3 P42574 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
SCHEMBL7449299 0.93 CA1 (0.43) MMP3PSMB1CA1NMBRCA5A
SCHEMBL2582313 0.73 TP53 (0.37) PSMB5
SCHEMBL2576523 0.72 PSMB1 (0.52) PSMB1CTSLCTSB
SCHEMBL2585850 0.68 SPPL2A (0.57) PSMB1CTSL
SCHEMBL6671871 0.67 CTSS (0.55) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL8493861 0.67 CTSS (0.55) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL18735868 0.67 PSMB1 (0.56) PSMB1CTSKCTSSCTSLCTSB
SCHEMBL13673908 0.66 ADORA3 (0.50) MMP3PSMB1CTSKCTSLCTSB
SCHEMBL27429302 0.66 PSMB1 (0.67) MMP3PSMB1CTSKCTSSCTSL
SCHEMBL19015747 0.66 MMP9 (0.62) PSMB1CTSKCTSSCTSLCTSB

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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed

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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MMP3 397/4885PSMB1 116/4885CA1 484/4885

“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.