SCHEMBL4043241

SCHEMBL4043241

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.57
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA2 P17301 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CCR1 P32246 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 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
SCHEMBL4045184 0.93 CTSK (0.61) CTSKCTSSCTSLSMYD3CCR1
SCHEMBL4046377 0.93 CTSK (0.55) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4040078 0.93 CTSK (0.58) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4043355 0.92 CTSK (0.60) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4038247 0.92 CTSK (0.59) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4040337 0.91 CTSK (0.57) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4046450 0.91 CTSK (0.67) CTSKCTSSCTSL
SCHEMBL4041576 0.91 CTSK (0.58) CTSKCTSSCTSL
SCHEMBL4041015 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4042677 0.90 CTSK (0.57) CTSKCTSSCTSLCTSBCDK4

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-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 2/4885CTSS 3/4885CTSL 57/4885

“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.