SCHEMBL4044674

SCHEMBL4044674

C=CCOC(=O)NN(C[C@@H]1C=CCN1C(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
BCL2 P10415 1/20 0.34
AKT1 P31749 3/20 0.33
CNR2 P34972 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
CHRM1 P11229 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
CASP1 P29466 1/20 0.31
CYP19A1 P11511 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4044679 1.00 L3MBTL1 (0.35) L3MBTL1BCL2AKT1CNR2TLR2
SCHEMBL5941673 0.93 AKT1 (0.37) L3MBTL1BCL2AKT1TLR2TLR1
SCHEMBL5941666 0.93 AKT1 (0.37) L3MBTL1BCL2AKT1TLR2TLR1
SCHEMBL4047732 0.88 CTSK (0.36) CASP1
SCHEMBL4047726 0.88 CTSK (0.36) CASP1
SCHEMBL4040856 0.87 L3MBTL1 (0.41) L3MBTL1AKT1SMN1; SMN2PSEN1PSEN2
SCHEMBL4040862 0.87 L3MBTL1 (0.41) L3MBTL1AKT1SMN1; SMN2PSEN1PSEN2
SCHEMBL4042556 0.80 LARS1 (0.34) CNR2SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL4042560 0.80 LARS1 (0.34) CNR2SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL28694679 0.78 ABCB1 (0.41) L3MBTL1AKT1SMN1; SMN2PSEN1PSEN2

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS L3MBTL1 3007/4885BCL2 1550/4885AKT1 1787/4885

“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.