SCHEMBL4040302

SCHEMBL4040302

CC(C)CC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.80
CTSS P25774 5/20 0.59
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
CCR1 P32246 2/20 0.46
SMYD3 Q9H7B4 1/20 0.42
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40

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
SCHEMBL4366565 1.00 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL5941951 1.00 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4366569 1.00 CTSK (0.80) CTSKCTSSCTSVCTSLCCR1
SCHEMBL5941884 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4361906 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4043101 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4361912 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4041612 0.94 CTSK (0.76) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4368912 0.93 CTSK (0.75) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4044020 0.93 CTSK (0.75) CTSKCTSSCTSVCTSLCCR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 EP claimed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
EP-0949245-B1 Process for alkylating hindered sulfonamides PFIZER PROD INC (US) 2001-10-04 EP 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
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 CTSK 2/4885CTSS 3/4885CTSV 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.