SCHEMBL4355987

SCHEMBL4355987

CC(C)C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)NN(C[C@@H]1C=CCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TDP1 Q9NUW8 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CTSK P43235 5/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CTSL P07711 2/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
CTSS P25774 1/20 0.34
REN P00797 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
SCHEMBL4224431 0.90 MAPT (0.41) MAPTTDP1NPSR1KDM4EPOLB
SCHEMBL4038712 0.83 MEN1 (0.37) MAPTNPSR1POLBMAPK1MEN1
SCHEMBL4042041 0.82 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4224247 0.81 CTSK (0.41) MAPTNPSR1POLBMAPK1MEN1
SCHEMBL28694679 0.77 ABCB1 (0.41) MEN1KMT2AALDH1A1CTSL
SCHEMBL4046341 0.76 MAPT (0.42) MAPTTDP1NPSR1KDM4EPOLB
SCHEMBL8347480 0.76 MAPT (0.42) MAPTTDP1NPSR1KDM4EPOLB
SCHEMBL4043450 0.76 MAPT (0.42) MAPTTDP1NPSR1KDM4EPOLB
SCHEMBL4040862 0.75 L3MBTL1 (0.41) NPSR1CTSL
SCHEMBL4040856 0.75 L3MBTL1 (0.41) NPSR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 MAPT 4583/4885TDP1 4715/4885NPSR1 108/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS MAPT 3367/4885TDP1 4715/4885NPSR1 536/4885

“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.