SCHEMBL4043831

SCHEMBL4043831

CC(C)C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1N)C(=O)NN(C[C@H]1C2OC2CN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.35
CTSK P43235 4/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 1/20 0.34
KCNA5 P22460 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
SCHEMBL4039918 0.87 CTSK (0.40) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL4040598 0.87 CTSK (0.40) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL4043450 0.85 MAPT (0.42) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL4046341 0.85 MAPT (0.42) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8347480 0.85 MAPT (0.42) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL4040623 0.77 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4040629 0.77 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL8350293 0.77 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL6209649 0.76 MAPT (0.43) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL30330579 0.74 ABCB1 (0.43) MAPTMEN1KMT2ACTSL

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 3367/4885MEN1 3247/4885KMT2A 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.