SCHEMBL4499875

SCHEMBL4499875

CC(Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.53
CTSK P43235 10/20 0.53
CTSB P07858 4/20 0.53
CTSL P07711 2/20 0.52
GLA P06280 1/20 0.47
FOLH1 Q04609 1/20 0.46
PTGES O14684 1/20 0.46
ATM Q13315 1/20 0.44
ACACB O00763 1/20 0.43
ACE P12821 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL10795527 0.88 CTSS (0.52) CTSSCTSKCTSBCTSLGLA
SCHEMBL4839075 0.88 CTSS (0.53) CTSSCTSKCTSBCTSLFOLH1
SCHEMBL3748882 0.86 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL5067241 0.86 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL6164195 0.86 CTSS (0.51) CTSSCTSKCTSBCTSLFOLH1
SCHEMBL29907936 0.86 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748888 0.86 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL18930761 0.86 CTSS (0.51) CTSSCTSKCTSBCTSLFOLH1
SCHEMBL25419654 0.85 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6164303 0.85 CTSS (0.58) CTSSCTSKCTSBCTSLACE

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-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT CTSS 255/4885CTSK 611/4885CTSB 776/4885

“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.