SCHEMBL2825914

SCHEMBL2825914

CC(C)(C)OC(=O)N[C@H](C=O)Cc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.60
CTSS P25774 4/20 0.60
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ATM Q13315 2/20 0.48
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 2/20 0.45

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
SCHEMBL2825910 1.00 CTSK (0.60) CTSKCTSSALDH1A1NPSR1ATM
SCHEMBL3216189 0.87 CTSK (0.51) CTSKCTSSALDH1A1NPSR1ATM
SCHEMBL3221648 0.87 CTSK (0.51) CTSKCTSSALDH1A1NPSR1ATM
SCHEMBL3050655 0.87 CTSS (0.60) CTSKCTSSALDH1A1NPSR1ATM
SCHEMBL2825812 0.87 CTSS (0.60) CTSKCTSSALDH1A1NPSR1ATM
SCHEMBL16787409 0.86 CTSK (0.48) CTSKCTSSALDH1A1NPSR1ATM
SCHEMBL1519862 0.86 SCN9A (0.47) CTSKCTSSATMLMNASCN9A
SCHEMBL1519860 0.86 SCN9A (0.47) CTSKCTSSATMLMNASCN9A
SCHEMBL30376528 0.85 CTSK (0.60) CTSKCTSSATMCTSBCTSL
SCHEMBL1519803 0.85 CTSL (0.60) CTSKCTSSATMSCN9ACTSB

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-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 EP disclosed
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
EP-2195303-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-06-16 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
WO-2009038752-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-03-26 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 (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-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses GRIN1, GRIN3B, GABRE CTSK 3746/4885CTSS 3280/4885ALDH1A1 2814/4885
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN3A, OPRK1, CHRNA3 CTSK 2789/4885CTSS 1271/4885ALDH1A1 1001/4885

“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.