SCHEMBL4043352

SCHEMBL4043352

CC(C)CCC(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.61
CTSS P25774 3/20 0.47
CACNA1B Q00975 1/20 0.41
POLB P06746 1/20 0.40
CCR1 P32246 1/20 0.39
CTSV O60911 2/20 0.37
CTSL P07711 2/20 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
SCHEMBL4044967 0.91 CTSK (0.60) CTSKCTSSCACNA1BPOLBCCR1
SCHEMBL13909147 0.90 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4217658 0.90 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4041864 0.90 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4217652 0.90 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL5941348 0.90 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4040186 0.90 CTSK (0.76) CTSKCTSSCACNA1BCCR1
SCHEMBL5941425 0.90 CTSK (0.76) CTSKCTSSCACNA1BCCR1
SCHEMBL5941418 0.90 CTSK (0.76) CTSKCTSSCACNA1BCCR1
SCHEMBL4042217 0.90 CTSK (0.60) CTSKCTSSCTSVCTSL

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 6 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-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 3/4885CACNA1B 3684/4885

“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.