SCHEMBL4039102

SCHEMBL4039102

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 1.00
CTSS P25774 3/20 0.75
CCR1 P32246 2/20 0.47
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PREP P48147 1/20 0.40
FAP Q12884 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
SCHEMBL5941421 1.00 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4210233 1.00 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4210236 1.00 CTSK (1.00) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5942073 0.94 CTSK (0.88) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5942080 0.94 CTSK (0.88) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4041855 0.91 CTSK (0.84) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4219542 0.91 CTSK (0.84) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4219546 0.91 CTSK (0.84) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL5942295 0.91 CTSK (0.84) CTSKCTSSCCR1MEN1KMT2A
SCHEMBL4369360 0.91 CTSK (0.84) CTSKCTSSCCR1CTSVCTSL

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-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-2185563-B1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-08-19 EP disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2020413-A1 Oxaspirocyclical spiro-substituted tetram and tetron acid derivatives Bayer CropScience AG (DE) 2009-02-04 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 2/4885CTSS 3/4885CCR1 100/4885

“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.