SCHEMBL1864930

SCHEMBL1864930

C[C@H](NC(=O)O)[C@H](NC(=O)OC(C)(C)C)C(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.46
REN P00797 3/20 0.44
CTSS P25774 2/20 0.44
ACE P12821 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 1/20 0.43
KLK5 Q9Y337 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CMA1 P23946 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1861530 0.78 EPHX2 (0.46) ACE
SCHEMBL1859118 0.78 EPHX2 (0.46) ACE
SCHEMBL1867178 0.76 KLK5 (0.49) ATMRENCTSSACECTSL
SCHEMBL7356966 0.76 KLK5 (0.59) ATMRENCTSSACECTSL
SCHEMBL11374461 0.74 ACE (0.62) ATMCTSSACECTSLCTSB
SCHEMBL11512962 0.74 ACE (0.62) ATMCTSSACECTSLCTSB
SCHEMBL1861930 0.74 KLK5 (0.43) ATMRENCTSSACECTSL
SCHEMBL7442960 0.74 KLK5 (0.52) ATMRENCTSSCTSLCTSB
SCHEMBL9658402 0.74 REN (0.49) ATMRENCTSSACECTSL
SCHEMBL9658400 0.74 REN (0.49) ATMRENCTSSACECTSL

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 ATM 2336/4885REN 298/4885CTSS 138/4885

“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.