SCHEMBL4699837

SCHEMBL4699837

C[C@H]1C[C@@H](C(N)=O)N(c2ncc(-c3ccc(N4CCN(CC#N)CC4)cc3)s2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.36
USP30 Q70CQ3 10/20 0.34
KIT P10721 1/20 0.34
SYK P43405 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
UCHL1 P09936 1/20 0.32
PRKD1 Q15139 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL4701793 0.85 USP2 (0.37) WNT3AUSP30SYKCTSSCTSK
SCHEMBL4700970 0.83 CYP1A2 (0.43) CTSSCTSK
SCHEMBL4701375 0.83 SYK (0.35) WNT3ASYKCTSSCTSK
SCHEMBL4698764 0.83 WNT3A (0.36) WNT3ASYKCTSSCTSKPRKD1
SCHEMBL4699920 0.80 CTSK (0.40) WNT3ACTSSCTSK
SCHEMBL4701773 0.80 WNT3A (0.36) WNT3ASYKJAK2
SCHEMBL4703005 0.79 SYK (0.36) WNT3ASYKCTSSCTSKJAK2
SCHEMBL4699833 0.79 CTSS (0.44) CTSSCTSKPRKD1
SCHEMBL4699879 0.79 SYK (0.35) WNT3ASYKJAK2
SCHEMBL4702478 0.79 SYK (0.37) WNT3AUSP30SYKJAK2

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
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ WNT3A 3276/4885USP30 617/4885KIT 1207/4885

“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.