SCHEMBL25233993

SCHEMBL25233993

C=CC1(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL25233110 0.87 AKT1 (0.32) AKT1
SCHEMBL29068650 0.83 CTSD (0.33) CTSDCTSLCTSBCTSS
SCHEMBL25279517 0.83 CTSD (0.33) CTSDCTSLCTSBCTSS
SCHEMBL22532934 0.75 GAA (0.33) CTSDCTSLCTSBCTSSAKT1
SCHEMBL25425223 0.73 CTSD (0.34) CTSDCTSLCTSBCTSS
SCHEMBL25421396 0.73 CTSD (0.34) CTSDCTSLCTSBCTSS
SCHEMBL32687873 0.72 NPSR1 (0.33) AKT1
SCHEMBL30733418 0.72 AKT1 (0.35) AKT1
SCHEMBL25232223 0.71 NPSR1 (0.33) AKT1
SCHEMBL31252257 0.71 AKT1 (0.37) CTSDCTSLCTSBCTSSAKT1

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
EP-4196479-B1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2023-11-01 EP disclosed
CN-116745292-A Substituted pyridotriazine compounds and uses thereof 吉利德科学公司 2023-09-12 CN disclosed
US-20230257389-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-17 US disclosed
US-20230257389-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-17 US disclosed
EP-4196479-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-21 EP disclosed
WO-2022159387-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-07-28 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-20230257389-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF TPMT, TYMP, DPYD CTSD 2479/4885CTSL 799/4885CTSB 2182/4885

“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.