SCHEMBL4037221

SCHEMBL4037221

CC(C)CC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.61
SMYD3 Q9H7B4 1/20 0.46
CTSS P25774 3/20 0.45
CCR1 P32246 1/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 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
SCHEMBL4043159 0.99 CTSK (0.61) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4041748 0.96 CTSK (0.66) CTSKCTSSCTSL
SCHEMBL4039951 0.96 CTSK (0.57) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4041640 0.96 CTSK (0.57) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4040365 0.95 CTSK (0.57) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4041902 0.95 CTSK (0.57) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4038609 0.95 CTSK (0.65) CTSKCTSSCTSL
SCHEMBL4039030 0.95 CTSK (0.58) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4042177 0.95 CTSK (0.58) CTSKSMYD3CTSSCCR1CTSV
SCHEMBL4046217 0.95 CTSK (0.64) CTSKSMYD3CTSS

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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 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-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

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 2/4885SMYD3 4011/4885CTSS 3/4885

“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.