SCHEMBL3624416

SCHEMBL3624416

CC[C@H](NC(=O)OC(C)(C)C)C(O)c1nnc(-c2ccncc2)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
CTSL P07711 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP17A1 P05093 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL5945913 1.00 CTSK (0.44) CTSKCTSSL3MBTL1KDM4EPOLB
SCHEMBL3624413 1.00 CTSK (0.44) CTSKCTSSL3MBTL1KDM4EPOLB
SCHEMBL3619257 0.90 CTSK (0.47) CTSKCTSSMAPTPKMCTSL
SCHEMBL5469248 0.90 CTSK (0.47) CTSKCTSSMAPTPKMCTSL
SCHEMBL5398413 0.90 CTSK (0.46) CTSKCTSSL3MBTL1KDM4EPOLB
SCHEMBL3622652 0.88 ALDH1A1 (0.44) CTSKCTSSKDM4EMAPTCTSL
SCHEMBL5945959 0.88 ALDH1A1 (0.44) CTSKCTSSKDM4EMAPTCTSL
SCHEMBL3622655 0.88 ALDH1A1 (0.44) CTSKCTSSKDM4EMAPTCTSL
SCHEMBL3876676 0.85 CTSK (0.43) CTSKCTSSCTSLALDH1A1HDAC6
SCHEMBL3876674 0.85 CTSK (0.43) CTSKCTSSCTSLALDH1A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSK 4/4885CTSS 3/4885L3MBTL1 1696/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CTSK 7/4885CTSS 2/4885L3MBTL1 1367/4885

“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.