SCHEMBL2532413

SCHEMBL2532413

C=CCc1cccc(C[C@H](NC(=O)OC(C)(C)C)C2CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.40
CTSK P43235 5/20 0.40
CTSB P07858 4/20 0.40
CTSL P07711 2/20 0.40
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39
KLK7 P49862 4/20 0.38
KLK5 Q9Y337 4/20 0.38
MAPT P10636 1/20 0.37
SLC7A5 Q01650 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2532411 1.00 CTSS (0.40) CTSSCTSKCTSBCTSLATM
SCHEMBL4622124 0.86 CTSS (0.37) CTSSCTSKCTSBCTSLATM
SCHEMBL4622121 0.86 CTSS (0.37) CTSSCTSKCTSBCTSLATM
SCHEMBL14209421 0.85 JAK2 (0.47) CTSSCTSKCTSBCTSLATM
SCHEMBL13349349 0.84 CTSS (0.56) CTSSCTSKCTSBCTSLATM
SCHEMBL13804518 0.84 CTSS (0.56) CTSSCTSKCTSBCTSLATM
SCHEMBL28848456 0.84 CTSS (0.56) CTSSCTSKCTSBCTSLATM
SCHEMBL8279289 0.84 CTSS (0.56) CTSSCTSKCTSBCTSLATM
SCHEMBL30040011 0.84 CTSS (0.56) CTSSCTSKCTSBCTSLATM
SCHEMBL7438571 0.83 ATM (0.54) CTSSCTSKCTSBCTSLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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 (2 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 CTSS 539/4885CTSK 1169/4885CTSB 937/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP CTSS 11/4885CTSK 60/4885CTSB 18/4885

“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.