SCHEMBL3622798

SCHEMBL3622798

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CTSK P43235 10/20 0.42
CTSS P25774 2/20 0.38
CYP2D6 P10635 1/20 0.37
APLNR P35414 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA4 P22748 1/20 0.34
CA9 Q16790 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
SCHEMBL3622795 1.00 CA1 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL7063152 0.76 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL21729511 0.75 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL26405353 0.75 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL24669522 0.74 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL19546156 0.74 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL15081309 0.74 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL3389500 0.74 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL14980856 0.74 CA1 (0.54) CA1CA2CA7CTSKCTSS
SCHEMBL15244379 0.74 CA1 (0.59) CA1CA2CA7CTSKCTSS

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 5 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
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 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 (3 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 CA1 992/4885CA2 1088/4885CA7 1245/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CA1 767/4885CA2 998/4885CA7 970/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CA1 950/4885CA2 356/4885CA7 604/4885

“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.