SCHEMBL4041815

SCHEMBL4041815

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)CC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.58
CTSS P25774 6/20 0.44
HPGDS O60760 1/20 0.39
CTSB P07858 2/20 0.38
CTSL P07711 3/20 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
SCHEMBL4042562 0.93 CTSK (0.58) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4047987 0.92 CTSK (0.59) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4041165 0.92 CTSK (0.56) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4043038 0.91 CTSK (0.58) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4043232 0.91 CTSK (0.60) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4044828 0.91 CTSK (0.56) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4043384 0.90 CTSK (0.55) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4041813 0.90 CTSK (0.57) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4040476 0.89 CTSK (0.57) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4042080 0.89 CTSK (0.60) CTSKCTSSHPGDSCTSBCTSL

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 35 patents — showing the first 20. 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-1539761-B1 6,7-DIHYDRO-5H-PYRAZOLO¬1,2-A PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2009-04-22 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
EP-1427728-B1 6,7-DIHYDRO-5H-PYRAZOLO 1,2-A PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY cYTOKINES PROCTER & GAMBLE (US) 2007-03-07 EP disclosed
US-7087615-B2 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20050282844-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2005-12-22 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO disclosed
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-07-17 US disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
WO-2003024971-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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 (5 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF CTSK 447/4885CTSS 118/4885HPGDS 220/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885HPGDS 603/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A CTSK 944/4885CTSS 2151/4885HPGDS 503/4885
US-20050282844-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1A, IL6, IL1B CTSK 679/4885CTSS 1760/4885HPGDS 174/4885
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 CTSK 338/4885CTSS 436/4885HPGDS 115/4885

“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.