SCHEMBL4039715

SCHEMBL4039715

CCCC(N)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.54
CTSS P25774 1/20 0.42
SMYD3 Q9H7B4 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 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
SCHEMBL4041175 0.95 CTSK (0.55) CTSKCTSSSMYD3CDK4CCNA2
SCHEMBL4040475 0.94 CTSK (0.56) CTSKCTSSSMYD3CDK4CCNA2
SCHEMBL4043242 0.94 CTSK (0.57) CTSKCTSSSMYD3
SCHEMBL4042677 0.94 CTSK (0.57) CTSKCTSSSMYD3CDK4CCNA2
SCHEMBL4045845 0.92 CTSK (0.55) CTSKCTSSSMYD3
SCHEMBL4043464 0.92 CTSK (0.63) CTSKCTSS
SCHEMBL4037734 0.92 CTSK (0.55) CTSKCTSSSMYD3CDK4CCNA2
SCHEMBL5941463 0.91 CTSK (0.53) CTSKCTSSSMYD3CDK4CCNA2
SCHEMBL4045203 0.91 CTSK (0.54) CTSKCTSSSMYD3CDK4CCNA2
SCHEMBL4040343 0.90 CTSK (0.58) CTSKCTSSSMYD3CDK4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554365-B1 USE OF HOMOPOLYMERS OF HYDROCARBYL VINYLETHERS FOR INCREASING THE EFFECT OF COLD FLOW IMPROVERS BASF SE (DE) 2009-04-29 EP claimed
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-1554365-A1 USE OF ETHER VINYL HYDROCARBYL HOMOPOLYMERS FOR INCREASING EFFECT OF A COLD FLOW IMPROVING AGENT BASF AKTIENGESELLSCHAFT (DE) 2005-07-20 EP claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004035715-A1 USE OF ETHER VINYL HYDROCARBYL HOMOPOLYMERS FOR INCREASING EFFECT OF A COLD FLOW IMPROVING AGENT BASF AKTIENGESELLSCHAFT (DE) 2004-04-29 WO claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1554365-B1 USE OF HOMOPOLYMERS OF HYDROCARBYL VINYLETHERS FOR INCREASING THE EFFECT OF COLD FLOW IMPROVERS BASF SE (DE) 2009-04-29 EP disclosed
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-1554365-A1 USE OF ETHER VINYL HYDROCARBYL HOMOPOLYMERS FOR INCREASING EFFECT OF A COLD FLOW IMPROVING AGENT BASF AKTIENGESELLSCHAFT (DE) 2005-07-20 EP disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004035715-A1 USE OF ETHER VINYL HYDROCARBYL HOMOPOLYMERS FOR INCREASING EFFECT OF A COLD FLOW IMPROVING AGENT BASF AKTIENGESELLSCHAFT (DE) 2004-04-29 WO 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.