SCHEMBL4042556

SCHEMBL4042556

CC(C)C[C@H](N)C(=O)NN(CC1C=CCN1C(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 2/20 0.34
CNR2 P34972 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CTSK P43235 4/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31
REN P00797 1/20 0.31
SCN9A Q15858 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
PIN1 Q13526 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
SLC7A5 Q01650 1/20 0.30
PIK3CD O00329 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
SCHEMBL4042560 1.00 LARS1 (0.34) LARS1CNR2AAK1CTSKCYP3A4
SCHEMBL4038712 0.87 MEN1 (0.37) CTSKCTSSPSEN1PSEN2APH1B
SCHEMBL4039844 0.84 CTSK (0.48) CTSKCTSS
SCHEMBL4047726 0.82 CTSK (0.36) CTSKCTSSREN
SCHEMBL4047732 0.82 CTSK (0.36) CTSKCTSSREN
SCHEMBL4044674 0.80 L3MBTL1 (0.35) CNR2SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL4044679 0.80 L3MBTL1 (0.35) CNR2SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL4045663 0.78 PSEN1 (0.37) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL4045063 0.78 PSEN1 (0.37) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL5941666 0.75 AKT1 (0.37) CTSKCYP3A4SMN1; SMN2CTSSPSEN1

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 LARS1 4201/4885CNR2 395/4885AAK1 3983/4885

“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.