SCHEMBL4042400

SCHEMBL4042400

CCCC(NC(=O)c1ccc(OC)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CTSK P43235 2/20 0.42
KCNQ1 P51787 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 3/20 0.40
CXCR3 P49682 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.38

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
SCHEMBL4040503 0.93 CTSK (0.44) LMNACTSKMMP1MMP13MAPT
SCHEMBL4043930 0.92 CTSK (0.41) LMNACTSKKCNQ1MAPTHSD17B10
SCHEMBL4037456 0.92 CTSK (0.51) LMNACTSKKCNQ1CHRNB4CHRNA3
SCHEMBL4045971 0.92 CTSK (0.43) LMNACTSKMAPTHSD17B10POLB
SCHEMBL4037665 0.92 LMNA (0.44) LMNACTSKMAPTHSD17B10ELOVL6
SCHEMBL4040210 0.90 CTSK (0.53) LMNACTSKMAPTHSD17B10POLB
SCHEMBL4044361 0.90 CTSK (0.44) LMNACTSKHSD17B10POLBKMT2A
SCHEMBL4041463 0.90 CTSK (0.43) LMNACTSKMMP1MMP3MMP7
SCHEMBL4041298 0.90 CTSK (0.54) LMNACTSKMAPTHSD17B10POLB
SCHEMBL4041799 0.90 CTSK (0.45) CTSKMAPTHSD17B10ELOVL6

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
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 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 (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 LMNA 3686/4885CTSK 2/4885KCNQ1 3181/4885

“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.