SCHEMBL2522091

SCHEMBL2522091

CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)C(=O)CNC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.37
KMT2A Q03164 5/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
UCHL1 P09936 1/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2525126 0.89 RAB9A (0.36) KMT2ARAB9ANPC1ALDH1A1HTT
SCHEMBL2526408 0.88 RAB9A (0.35) PYGLKMT2ARAB9ANPC1ALDH1A1
SCHEMBL2522895 0.86 AAK1 (0.40) PYGLKMT2ARAB9ANPC1ALDH1A1
SCHEMBL2520920 0.83 ALDH1A1 (0.42) RAB9AALDH1A1HTTERCC1ERCC4
SCHEMBL15929315 0.80 LIPG (0.45) PYGLKMT2ARAB9ANPC1MEN1
SCHEMBL2523277 0.78 AAK1 (0.39) KMT2ARAB9AALDH1A1HTTMEN1
SCHEMBL2523924 0.77 AAK1 (0.38)
SCHEMBL2527558 0.77 KMT2A (0.42) PYGLKMT2ARAB9ANPC1ALDH1A1
SCHEMBL2524662 0.74 TSHR (0.43) KMT2ARAB9AALDH1A1MEN1KDM4E
SCHEMBL18485841 0.73 TDP1 (0.36) KMT2ARAB9ANPC1ALDH1A1MEN1

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-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 PYGL 742/4885KMT2A 2289/4885RAB9A 1067/4885

“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.