SCHEMBL9853432

SCHEMBL9853432

C=CCC(NC(=O)OC(C)(C)C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.44
PKM P14618 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 2/20 0.34
MMP8 P22894 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL896025 0.85 PKM (0.46) PTPRBPKMKDM4ESMN1; SMN2THRB
SCHEMBL895834 0.81 SMN1; SMN2 (0.40) PTPRBPKMKDM4ESMN1; SMN2THRB
SCHEMBL26694428 0.78 PKM (0.44) PKMKDM4ESMN1; SMN2THRBHTT
SCHEMBL31075458 0.78 SMN1; SMN2 (0.39) PTPRBPKMKDM4ESMN1; SMN2THRB
SCHEMBL4662942 0.78 PTPRB (0.45) PTPRBPKMKDM4ESMN1; SMN2THRB
SCHEMBL17439188 0.78 PKM (0.49) PTPRBPKMKDM4ETHRBHTT
SCHEMBL561048 0.78 PTPRB (0.45) PTPRBPKMKDM4ESMN1; SMN2THRB
SCHEMBL25227129 0.76 PKM (0.46) PTPRBPKMKDM4ESMN1; SMN2THRB
SCHEMBL17712278 0.76 PKM (0.46) PTPRBPKMKDM4ETHRBHTT
SCHEMBL30805062 0.76 MAPT (0.40) KDM4ESMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 WO disclosed
EP-0417803-A1 [N-(gamma-glutamyl)glycyl] alanine derivatives SANDOZ LTD. (CH) 1991-03-20 EP 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-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L PTPRB 623/4885PKM 4307/4885KDM4E 553/4885

“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.