SCHEMBL13413129

SCHEMBL13413129

CCC(NC(=O)OC(C)(C)C)C(=O)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.55
CTSS P25774 7/20 0.55
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CAPN1 P07384 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5438237 1.00 CTSK (0.55) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18354057 0.86 GAA (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL836447 0.85 JAK3 (0.52) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL6631742 0.85 JAK3 (0.52) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL836446 0.85 JAK3 (0.52) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14496975 0.85 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14842208 0.85 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL24924763 0.83 CTSK (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL3213287 0.83 CTSS (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14779393 0.83 CTSK (0.57) CTSKCTSSCYP1A2CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678760-B2 Inhibitors of Memapsin 2 and use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-16 US disclosed
US-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-01-24 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-20080021196-A1 INHIBITORS OF MEMAPSIN 2 AND USE THEREOF PSEN2, APP, ANPEP CTSK 2847/4885CTSS 2264/4885CYP1A2 3213/4885

“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.