SCHEMBL3221648

SCHEMBL3221648

CC(C)(C)OC(=O)NC(C=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.51
CTSS P25774 2/20 0.45
ATM Q13315 2/20 0.41
BACE1 P56817 1/20 0.39
ACE P12821 1/20 0.39
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL3216189 1.00 CTSK (0.51) CTSKCTSSATMBACE1ACE
SCHEMBL5859395 0.88 CTSK (0.44) CTSKCTSSATMBACE1ACE
SCHEMBL2825914 0.87 CTSK (0.60) CTSKCTSSATMACEJAK2
SCHEMBL2825910 0.87 CTSK (0.60) CTSKCTSSATMACEJAK2
SCHEMBL3890865 0.86 CTSK (0.57) CTSKCTSSATMCTSLCTSB
SCHEMBL7534074 0.86 CTSK (0.57) CTSKCTSSATMCTSLCTSB
SCHEMBL3989541 0.86 CTSK (0.57) CTSKCTSSATMCTSLCTSB
SCHEMBL3216710 0.86 CTSK (0.45) CTSKCTSSATMACECTSL
SCHEMBL3216701 0.86 CTSK (0.45) CTSKCTSSATMACECTSL
SCHEMBL3475024 0.85 CTSK (0.55) CTSKCTSSATMACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030239-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 US claimed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP claimed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
EP-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 EP disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
EP-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20080058336-A1 Methods to Treat Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080058336-A1 Methods to Treat Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP disclosed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 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 (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-20040214846-A1 Compounds to treat Alzheimer's disease PSEN1, PSEN2, BACE1 CTSK 1785/4885CTSS 2221/4885ATM 3894/4885
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses GRIN1, GRIN3B, GABRE CTSK 3746/4885CTSS 3280/4885ATM 3298/4885
US-20080058336-A1 Methods to Treat Alzheimer's Disease PSEN2, PSEN1, ACHE CTSK 1100/4885CTSS 1376/4885ATM 3371/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 CTSK 1785/4885CTSS 2221/4885ATM 3894/4885

“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.