SCHEMBL4038712

SCHEMBL4038712

CC(C)C[C@H](N)C(=O)NN(C[C@@H]1C=CCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
PSMB5 P28074 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSK P43235 6/20 0.35
CTSL P07711 4/20 0.35
CTSS P25774 2/20 0.35
CTSB P07858 1/20 0.35
HDAC1 Q13547 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
SCHEMBL4042556 0.87 LARS1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4042560 0.87 LARS1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4224247 0.84 CTSK (0.41) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL4042041 0.84 CTSK (0.43) CTSKCTSLCTSSCTSB
SCHEMBL28694679 0.84 ABCB1 (0.41) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL4355987 0.83 MAPT (0.42) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL4224431 0.82 MAPT (0.41) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL4040862 0.82 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4040856 0.82 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4043968 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 7 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 claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS MEN1 3247/4885MAPT 3367/4885KMT2A 3867/4885

“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.