SCHEMBL7563595

SCHEMBL7563595

CC(C)(CCCCC#N)CN(C[C@@H](O)[C@H](Cc1cccc(C(C)(C)C)c1)NC(=O)O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ABCB1 P08183 1/20 0.35
SPPL2A Q8TCT8 1/20 0.35
BACE1 P56817 3/20 0.35
CTSL P07711 2/20 0.35
BMP1 P13497 1/20 0.34
LMNA P02545 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BCHE P06276 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
SCHEMBL5771630 0.92 MEP1B (0.39) MEP1BALDH1A1ABCB1SPPL2ABACE1
SCHEMBL4165957 0.89 SPPL2A (0.41) MEP1BALDH1A1ABCB1SPPL2ABMP1
SCHEMBL1603109 0.86 SPPL2A (0.43) ALDH1A1ABCB1SPPL2ALMNA
SCHEMBL1603110 0.86 SPPL2A (0.43) ALDH1A1ABCB1SPPL2ALMNA
SCHEMBL1601744 0.85 SPPL2A (0.42) MEP1BALDH1A1ABCB1SPPL2ALMNA
SCHEMBL1601742 0.85 SPPL2A (0.42) MEP1BALDH1A1ABCB1SPPL2ALMNA
SCHEMBL4351114 0.85 ABCB1 (0.45) ABCB1SPPL2ABMP1
SCHEMBL4351110 0.85 ABCB1 (0.45) ABCB1SPPL2ABMP1
SCHEMBL12735016 0.83 SPPL2A (0.40) MEP1BALDH1A1ABCB1SPPL2ABMP1
SCHEMBL12709319 0.83 SPPL2A (0.40) MEP1BALDH1A1ABCB1SPPL2ABMP1

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-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 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-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MEP1B 2332/4885ALDH1A1 1604/4885ABCB1 628/4885

“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.