SCHEMBL1612669

SCHEMBL1612669

CCOC(=O)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.59
ATM Q13315 1/20 0.53
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
TSHR P16473 1/20 0.49
ACE P12821 1/20 0.49
SYK P43405 1/20 0.47
APP P05067 1/20 0.47
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2248600 0.93 KLK5 (0.57) KLK5ATMCTSSCTSKCTSL
SCHEMBL6578313 0.90 KLK5 (0.59) KLK5ATMCTSSCTSKCTSL
SCHEMBL6945136 0.90 KLK5 (0.68) KLK5ATMCTSSCTSKCTSL
SCHEMBL6945132 0.90 KLK5 (0.68) KLK5ATMCTSSCTSKCTSL
SCHEMBL6813547 0.90 KLK5 (0.68) KLK5ATMCTSSCTSKCTSL
SCHEMBL3447452 0.87 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL288838 0.87 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL15775826 0.87 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL743357 0.87 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL7356486 0.87 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 US disclosed
US-8236798-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2012-08-07 US disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US disclosed
US-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 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 (4 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-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 KLK5 4351/4885ATM 4213/4885CTSS 46/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 KLK5 4351/4885ATM 4213/4885CTSS 46/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 KLK5 4351/4885ATM 4213/4885CTSS 46/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 KLK5 4351/4885ATM 4213/4885CTSS 46/4885

“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.