SCHEMBL4042823

SCHEMBL4042823

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
USP30 Q70CQ3 3/20 0.39
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
MMP13 P45452 1/20 0.34
MAPK14 Q16539 1/20 0.34
ADAM17 P78536 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ACE P12821 1/20 0.32
CTSB P07858 1/20 0.32
UGCG Q16739 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4039089 0.90 CTSK (0.39) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4041322 0.90 CTSK (0.51) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4041519 0.90 CTSK (0.42) CTSKCTSSCTSVCTSLCTSB
SCHEMBL4044330 0.89 CTSK (0.41) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4042748 0.88 CTSK (0.49) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4040733 0.88 CTSK (0.53) CTSKCTSSCTSLMMP13ADAM17
SCHEMBL4043711 0.88 CTSS (0.43) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4040938 0.88 CTSK (0.40) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4040693 0.88 CTSK (0.44) CTSKCTSSCTSVCTSLMMP13
SCHEMBL4039009 0.85 CTSK (0.41) CTSKUSP30CTSSCTSVCTSL

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 9 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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 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 (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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C CTSK 2482/4885USP30 1280/4885CTSS 1828/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885USP30 2688/4885CTSS 3/4885

“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.