SCHEMBL4906077

SCHEMBL4906077

COc1ccc2c(c1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](c1ccccc1)O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOB P27338 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL8339739 0.87 IDO1 (0.38) MAOBGABRB2USP2
SCHEMBL4900102 0.87 IDO1 (0.43) KMT2AMEN1HSD17B10ALDH1A1MAOB
SCHEMBL4912762 0.87 IDO1 (0.43) KMT2AMEN1HSD17B10ALDH1A1MAOB
SCHEMBL4906121 0.80 ABCB1 (0.40) KMT2AMEN1ABCB1ARABCG2
SCHEMBL3341036 0.79 SMN1; SMN2 (0.54) KMT2AMEN1ABCB1ARABCG2
SCHEMBL4897648 0.79 SMN1; SMN2 (0.54) KMT2AMEN1ABCB1ARABCG2
SCHEMBL14260850 0.76 IDO1 (0.45) KMT2AKDM4EALDH1A1MAPT
SCHEMBL17324441 0.76 GAA (0.49) HSD17B10
SCHEMBL29467169 0.76 GAA (0.49) HSD17B10
SCHEMBL18419871 0.76 GAA (0.49) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1831187-A1 NOVEL MOLECULAR PROBES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065218-A1 NOVEL MOLECULAR PROBES ASTRAZENECA AB (SE) 2006-06-22 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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 KMT2A 4557/4885MEN1 2630/4885ABCB1 1513/4885

“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.