SCHEMBL4040862

SCHEMBL4040862

C=CCOC(=O)NN(CC1C=CCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ELANE P08246 8/20 0.35
CTSL P07711 1/20 0.35
AKT1 P31749 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 3/20 0.35
CTSG P08311 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL4040856 1.00 L3MBTL1 (0.41) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL28694679 0.89 ABCB1 (0.41) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL4042041 0.88 CTSK (0.43) CTSL
SCHEMBL4044679 0.87 L3MBTL1 (0.35) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL4044674 0.87 L3MBTL1 (0.35) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL4038712 0.82 MEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4045686 0.81 PSEN1 (0.41) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL5941666 0.80 AKT1 (0.37) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL5941673 0.80 AKT1 (0.37) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL4043964 0.79 PSEN1 (0.44) L3MBTL1PSEN1PSEN2APH1BNCSTN

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 3007/4885PSEN1 722/4885PSEN2 737/4885

“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.