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SCHEMBL4042995

SCHEMBL4042995

CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.60
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCR1 P32246 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB5 P18084 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
SCHEMBL4042199 0.94 CTSK (0.64) CTSKCTSSCTSLKDM4EALDH1A1
SCHEMBL4039711 0.92 CTSK (0.61) CTSKCTSSCTSLKDM4EALDH1A1
SCHEMBL4043427 0.92 CTSK (0.61) CTSKCTSSCTSL
SCHEMBL4368912 0.89 CTSK (0.75) CTSKCTSSCTSLALDH1A1HSD17B10
SCHEMBL5941816 0.89 CTSK (0.75) CTSKCTSSCTSLALDH1A1HSD17B10
SCHEMBL4368915 0.89 CTSK (0.75) CTSKCTSSCTSLALDH1A1HSD17B10
SCHEMBL4044020 0.89 CTSK (0.75) CTSKCTSSCTSLALDH1A1HSD17B10
SCHEMBL4046526 0.89 CTSK (0.72) CTSKCTSSCTSLKDM4EALDH1A1
SCHEMBL4037045 0.89 CTSK (0.72) CTSKCTSSCTSLKDM4EALDH1A1
SCHEMBL4041263 0.89 CTSK (0.66) CTSKCTSSCTSLKDM4EALDH1A1

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-1343807-B1 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORP (US) 2009-04-29 — — EP disclosed
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
US-6911428-B2 Viricides SCHERING CORPORATION (US) 2005-06-28 — — US disclosed
EP-1343807-A2 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORPORATION (US) 2003-09-17 — — EP disclosed
US-20020147139-A1 Diaryl peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2002-10-10 — — US disclosed
WO-2002048172-A2 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORPORATION (US) 2002-06-20 — — 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSL 57/4885
US-20020147139-A1 Diaryl peptides as NS3-serine protease inhibitors of hepatitis C virus PRSS1, PEPD, TMPRSS11D CTSK 187/4885CTSS 118/4885CTSL 29/4885

“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.