SCHEMBL4196142

SCHEMBL4196142

COC(=O)[C@H](Cc1ccc(C#CCC(C)O)nc1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.45
CTSS P25774 8/20 0.41
CTSK P43235 7/20 0.41
CTSB P07858 2/20 0.40
CTSL P07711 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 1/20 0.37
ACE P12821 1/20 0.37

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
SCHEMBL4248946 0.85 KLK5 (0.51) KLK5CTSSCTSKCTSBCTSL
SCHEMBL8168094 0.81 KLK5 (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL4199463 0.80 KLK5 (0.41) KLK5CTSSCTSKCTSBCTSL
SCHEMBL8173159 0.79 KLK5 (0.47) KLK5CTSSCTSKCTSBCTSL
SCHEMBL33526968 0.79 KLK5 (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL763725 0.79 KLK5 (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL12241473 0.79 KLK5 (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL25657795 0.78 CTSS (0.51) CTSSCTSKCTSBCTSLITGB3
SCHEMBL3009608 0.78 KLK5 (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL8167522 0.78 KLK5 (0.49) KLK5CTSSCTSKCTSBCTSL

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-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 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-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL KLK5 2857/4885CTSS 3492/4885CTSK 4014/4885

“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.