SCHEMBL29594352

SCHEMBL29594352

CC(C)(C)OC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ TNF P01375 1/20 0.49
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ CASP3 P42574 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL29480487 0.90 CTSK (0.51) HDAC1HDAC2CTSKCTSLCTSS
SCHEMBL12677569 0.88 MDM4 (0.49) MDM4TP53CASP3KMT2A
SCHEMBL29624621 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL29367497 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL29355082 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL598209 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL119565 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL119575 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL30802551 0.88 MDM4 (0.56) TNFMDM4TP53CASP3
SCHEMBL31385405 0.87 MDM4 (0.47) MDM4TP53CASP3KMT2A

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 2 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
WO-2022075974-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-04-14 — — 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-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 HDAC1 229/4885HDAC2 429/4885CTSK 4170/4885

“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.

Send feedback