SCHEMBL4040307

SCHEMBL4040307

CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.52
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CTSS P25774 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
AIMP2 Q13155 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL4043894 0.95 CTSK (0.52) CTSKCTSSADRB2ADRB1ADRB3
SCHEMBL4040792 0.93 CTSK (0.51) CTSKSMN1; SMN2CTSSALDH1A1MEN1
SCHEMBL4045285 0.93 CTSK (0.60) CTSKCTSS
SCHEMBL4046529 0.92 CTSK (0.49) CTSKCTSSADRB2ADRB1ADRB3
SCHEMBL5942387 0.91 CTSK (0.57) CTSKSMN1; SMN2CTSSALDH1A1MEN1
SCHEMBL4227044 0.91 CTSK (0.57) CTSKSMN1; SMN2CTSSALDH1A1MEN1
SCHEMBL4039368 0.91 CTSK (0.57) CTSKSMN1; SMN2CTSSALDH1A1MEN1
SCHEMBL5942389 0.91 CTSK (0.57) CTSKSMN1; SMN2CTSSALDH1A1MEN1
SCHEMBL4040000 0.90 CTSK (0.53) CTSKSMN1; SMN2KDM4ELMNAHTT
SCHEMBL4042230 0.89 CTSK (0.52) CTSKCTSS

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 5 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

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 2/4885SMN1; SMN2 3546/4885KDM4E 3911/4885

“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.