SCHEMBL4037456

SCHEMBL4037456

COc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
KCNQ1 P51787 1/20 0.42
LMNA P02545 3/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CTSS P25774 1/20 0.40
CXCR3 P49682 1/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4037128 0.93 CTSK (0.54) CTSKCTSSMMP1MMP3MMP9
SCHEMBL4042964 0.92 CTSK (0.49) CTSKKCNQ1CTSSHSD17B10ALDH1A1
SCHEMBL4042400 0.92 LMNA (0.43) CTSKKCNQ1LMNACHRNB4CHRNA3
SCHEMBL4041749 0.92 CTSK (0.53) CTSKLMNACTSSHSD17B10POLB
SCHEMBL4039854 0.91 CTSK (0.51) CTSKLMNACTSSHSD17B10POLB
SCHEMBL4042094 0.91 CTSK (0.53) CTSKCTSSHSD17B10POLBKMT2A
SCHEMBL4040525 0.91 CTSK (0.53) CTSKCTSSHSD17B10POLBKMT2A
SCHEMBL4039791 0.90 CTSK (0.64) CTSKLMNACTSSHSD17B10ALDH1A1
SCHEMBL4040176 0.90 CTSK (0.52) CTSKLMNACHRNB2CHRNA7CHRNA4
SCHEMBL4043892 0.90 CTSK (0.51) CTSKCTSSHSD17B10

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-1558603-A4 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS INSIGHT EQUITY A P X LP (US) 2009-03-18 EP claimed
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-1558603-A2 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS Vision-Ease Lens, Inc. (US) 2005-08-03 EP claimed
WO-2004047674-A2 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2004-06-10 WO claimed
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 CTSK 2/4885KCNQ1 3181/4885LMNA 3686/4885

“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.