SCHEMBL4044478

SCHEMBL4044478

CCCC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NAMPT P43490 2/20 0.36
CHRM1 P11229 1/20 0.35

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
SCHEMBL4038738 0.93 CTSK (0.48) CTSKCTSLCTSS
SCHEMBL4041377 0.92 CTSK (0.51) CTSKCTSLCTSSTP53SMN1; SMN2
SCHEMBL4040030 0.90 CTSK (0.41) CTSKCTSLCTSSTP53SMN1; SMN2
SCHEMBL4045971 0.90 CTSK (0.43) CTSKCTSLCTSSSMN1; SMN2HSD17B10
SCHEMBL4046752 0.90 CTSK (0.40) CTSKTP53SMN1; SMN2NAMPT
SCHEMBL4044537 0.89 CTSK (0.41) CTSKCTSLCTSSHSD17B10
SCHEMBL4044361 0.88 CTSK (0.44) CTSKCTSLCTSSHSD17B10LMNA
SCHEMBL4040210 0.88 CTSK (0.53) CTSKCTSLCTSSHSD17B10LMNA
SCHEMBL4042168 0.88 CTSK (0.42) CTSKCTSLCTSSSMN1; SMN2LMNA
SCHEMBL4041298 0.88 CTSK (0.54) CTSKCTSLCTSSSMN1; SMN2HSD17B10

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 8 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-2016064-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP claimed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO 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
EP-2016064-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO 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 2/4885CTSL 57/4885CTSS 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.