SCHEMBL4906710

SCHEMBL4906710

O=C(O)N[C@H](CO)CCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC1 Q13547 4/20 0.47
ALOX5 P09917 1/20 0.47
HDAC2 Q92769 1/20 0.47
EPHX2 P34913 2/20 0.46
TRPV1 Q8NER1 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL4607184 0.87 CNR2 (0.51)
SCHEMBL23201144 0.87 CNR2 (0.51)
SCHEMBL3066768 0.87 CNR2 (0.51)
SCHEMBL18007051 0.86 SIGMAR1 (0.50) TRPA1MAPTRXFP1HDAC1SIGMAR1
SCHEMBL3407618 0.80 MMP3 (0.46) EPHX2
SCHEMBL3408895 0.80 MMP3 (0.46) EPHX2
SCHEMBL7487798 0.79 TRPA1 (0.53) TRPA1MAPTRXFP1HDAC1ALOX5
SCHEMBL21628079 0.78 MME (0.50)
SCHEMBL15796346 0.78 MMP1 (0.47)
SCHEMBL4907367 0.77 CTSK (0.57) TRPA1MAPTRXFP1HDAC1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE TRPA1 4452/4885MAPT 3861/4885RXFP1 4198/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ TRPA1 4855/4885MAPT 3643/4885RXFP1 4008/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE TRPA1 4452/4885MAPT 3861/4885RXFP1 4198/4885

“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.