SCHEMBL4043450

SCHEMBL4043450

CC(C)C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)NN(C[C@H]1C2OC2CN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSK P43235 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RECQL P46063 1/20 0.39
MMP3 P08254 3/20 0.39
MMP1 P03956 2/20 0.39
POLB P06746 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CTSS P25774 3/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
CTSL P07711 3/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4046341 1.00 MAPT (0.42) MAPTNPSR1KDM4ETDP1CTSK
SCHEMBL8347480 1.00 MAPT (0.42) MAPTNPSR1KDM4ETDP1CTSK
SCHEMBL4040598 0.92 CTSK (0.40) MAPTNPSR1TDP1CTSKMEN1
SCHEMBL4039918 0.92 CTSK (0.40) MAPTNPSR1TDP1CTSKMEN1
SCHEMBL6209649 0.91 MAPT (0.43) MAPTNPSR1KDM4ETDP1CTSK
SCHEMBL4224431 0.85 MAPT (0.41) MAPTNPSR1KDM4ETDP1CTSK
SCHEMBL4043831 0.85 MAPT (0.36) MAPTNPSR1TDP1CTSKMEN1
SCHEMBL4040629 0.81 CTSK (0.47) CTSKCTSSCTSL
SCHEMBL8350293 0.81 CTSK (0.47) CTSKCTSSCTSL
SCHEMBL4040623 0.81 CTSK (0.47) CTSKCTSSCTSL

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 MAPT 3367/4885NPSR1 536/4885KDM4E 3911/4885

“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.