SCHEMBL4042779

SCHEMBL4042779

CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.56
CTSS P25774 3/20 0.43
SMYD3 Q9H7B4 1/20 0.38
CCR1 P32246 1/20 0.38
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 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
SCHEMBL4045202 0.97 CTSK (0.56) CTSKCTSSSMYD3CCR1CTSV
SCHEMBL4043396 0.95 CTSK (0.59) CTSKCTSSSMYD3CCR1CTSV
SCHEMBL4038525 0.95 CTSK (0.59) CTSKCTSSSMYD3CCR1CTSL
SCHEMBL4042177 0.94 CTSK (0.58) CTSKCTSSSMYD3CCR1CTSV
SCHEMBL4039951 0.94 CTSK (0.57) CTSKCTSSSMYD3CCR1CTSV
SCHEMBL4041902 0.93 CTSK (0.57) CTSKCTSSSMYD3CCR1CTSV
SCHEMBL4039030 0.93 CTSK (0.58) CTSKCTSSSMYD3CCR1CTSV
SCHEMBL4040025 0.92 CTSK (0.66) CTSKCTSSCTSL
SCHEMBL4040705 0.92 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4041640 0.92 CTSK (0.57) CTSKCTSSSMYD3CCR1CTSV

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-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
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 3/4885SMYD3 4011/4885

“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.