SCHEMBL2900744

SCHEMBL2900744

COC(=O)[C@](C)(Cc1cccc(OCC(NC(=O)OC(C)(C)C)c2ccccc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KLK5 Q9Y337 1/20 0.40
TACR3 P29371 1/20 0.39
CTSK P43235 4/20 0.39
PPARA Q07869 1/20 0.39
CTSS P25774 5/20 0.39
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.38
CTSB P07858 2/20 0.38
CTSL P07711 1/20 0.37
CACNA1B Q00975 1/20 0.37
GPR88 Q9GZN0 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
SCHEMBL2900742 1.00 MAPT (0.41) MAPTKLK5TACR3CTSKPPARA
SCHEMBL2900620 0.91 CHRM2 (0.40) ATM
SCHEMBL2900618 0.91 CHRM2 (0.40) ATM
SCHEMBL13412264 0.86 PPARA (0.39) KLK5CTSKPPARACTSSATM
SCHEMBL2895298 0.84 CTSK (0.44) MAPTKLK5TACR3CTSKCTSS
SCHEMBL2901228 0.80 KMT2A (0.46) MAPT
SCHEMBL2901227 0.80 KMT2A (0.46) MAPT
SCHEMBL13412265 0.77 CTSK (0.47) KLK5TACR3CTSKPPARACTSS
SCHEMBL2210445 0.77 CA12 (0.49) MAPTKLK5TACR3CTSKPPARA
SCHEMBL2210451 0.77 CA12 (0.49) MAPTKLK5TACR3CTSKPPARA

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
EP-1814537-B1 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-7678783-B2 Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2010-03-16 US disclosed
US-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2008-10-30 US disclosed
EP-1814537-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006055434-A2 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-05-26 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-20080269302-A1 Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 MAPT 29/4885KLK5 2009/4885TACR3 930/4885

“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.