SCHEMBL1865574

SCHEMBL1865574

CC(C)(C)C[C@@H](N)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.39
METAP2 P50579 5/20 0.38
METAP1 P53582 3/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
LTA4H P09960 1/20 0.36
REN P00797 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 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
SCHEMBL7268749 0.84 CTSK (0.39) CPB2CTSSCTSKLTA4HREN
SCHEMBL1859134 0.84 CTSK (0.39) CPB2CTSSCTSKLTA4HREN
SCHEMBL3613229 0.84 METAP2 (0.43) CPB2METAP2METAP1SLC1A3SLC1A2
SCHEMBL4972480 0.84 METAP2 (0.43) CPB2METAP2METAP1SLC1A3SLC1A2
SCHEMBL3613233 0.84 METAP2 (0.43) CPB2METAP2METAP1SLC1A3SLC1A2
SCHEMBL3603322 0.80 LTA4H (0.43) CPB2METAP2METAP1CTSKLTA4H
SCHEMBL3603318 0.80 LTA4H (0.43) CPB2METAP2METAP1CTSKLTA4H
SCHEMBL969489 0.79 REN (0.40) CPB2METAP2METAP1CTSSCTSK
SCHEMBL3616178 0.78 METAP2 (0.46) CPB2METAP2METAP1CTSKLTA4H
SCHEMBL3616181 0.78 METAP2 (0.46) CPB2METAP2METAP1CTSKLTA4H

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE CPB2 45/4885METAP2 44/4885METAP1 13/4885

“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.