SCHEMBL12214541

SCHEMBL12214541

CC(C)CCOC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.55
CTSS P25774 4/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 1/20 0.55
CAPN1 P07384 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41

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
SCHEMBL21675512 0.85 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13519734 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18360203 0.85 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL15374288 0.84 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL15107084 0.84 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9596442 0.84 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27808939 0.84 CTSK (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL16254028 0.84 CTSK (0.45) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27808938 0.84 CTSK (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL55832 0.84 CTSL (0.60) CTSKCTSSCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 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 (2 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN CTSK 640/4885CTSS 449/4885CTSL 115/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN CTSK 522/4885CTSS 354/4885CTSL 66/4885

“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.