SCHEMBL22494015

SCHEMBL22494015

CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
CTSL P07711 5/20 0.50
CTSS P25774 6/20 0.48
CTSB P07858 2/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TGM2 P21980 1/20 0.47
SYK P43405 1/20 0.46
MCHR1 Q99705 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL22494016 1.00 CTSK (0.50) CTSKCTSLCTSSCTSBBCHE
SCHEMBL29360411 0.92 CTSS (0.54) CTSKCTSLCTSSCTSBBCHE
SCHEMBL29362656 0.88 SIRT2 (0.50) CTSKCTSL
SCHEMBL29360762 0.87 PSMB8 (0.50) CTSKCTSLCTSSCTSBBCHE
SCHEMBL22534071 0.86 CTSL (0.54) CTSKCTSLCTSSBCHEACHE
SCHEMBL29361478 0.84 CTSS (0.57) CTSKCTSLCTSSCTSBBCHE
SCHEMBL992795 0.83 CA12 (0.59) CTSKCTSLCTSSCTSBCACNA1C
SCHEMBL29362776 0.83 SIRT5 (0.48) CTSKCTSL
SCHEMBL29362605 0.82 SMN1; SMN2 (0.58) CTSKCTSLCTSSCTSBBCHE
Trifluoroacetic Acid SCHEMBL21571447 0.82 SIRT2 (0.51) CTSKCTSLCTSSCTSBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2023-02-21 US disclosed
US-20220213111-A1 SUBSTITUTED HETEROCYCLES AS CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-07-07 US disclosed
US-11306098-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2022-04-19 US disclosed
EP-3953333-A1 NOVEL CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-02-16 EP disclosed
US-20210015829-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2021-01-21 US disclosed
US-20200317677-A1 NOVEL CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC 2020-10-08 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 (5 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-20200317677-A1 NOVEL CYCLIC TREX1 INHIBITORS TMX1, TCOF1, TREH CTSK 3817/4885CTSL 3165/4885CTSS 3067/4885
US-20220213111-A1 SUBSTITUTED HETEROCYCLES AS CYCLIC TREX1 INHIBITORS TMX1, TREH, TSNAX CTSK 3200/4885CTSL 3028/4885CTSS 2838/4885
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 CTSK 4170/4885CTSL 3478/4885CTSS 3702/4885
US-11306098-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 CTSK 4194/4885CTSL 3416/4885CTSS 3672/4885
US-20210015829-A1 CYCLIC TREX1 INHIBITORS TMX1, TSNAX, TPX2 CTSK 3827/4885CTSL 3372/4885CTSS 3274/4885

“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.