SCHEMBL4039563

SCHEMBL4039563

CC(C)CC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.54
CTSS P25774 3/20 0.42
CCR1 P32246 1/20 0.39
MMP13 P45452 2/20 0.38
MMP3 P08254 2/20 0.38
MMP8 P22894 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
ADAM17 P78536 1/20 0.38
CTSL P07711 3/20 0.38
CTSV O60911 2/20 0.38
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CA2 P00918 2/20 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
SCHEMBL4042967 0.93 CTSK (0.52) CTSKCTSSMMP3CTSLCA2
SCHEMBL4039142 0.92 CTSK (0.45) CTSKCTSSCCR1MMP13MMP3
SCHEMBL4042557 0.92 CTSS (0.45) CTSKCTSSMMP13MMP3MMP8
SCHEMBL4038499 0.91 CTSK (0.50) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4038667 0.90 CTSK (0.54) CTSKCTSSCCR1CA1CA2
SCHEMBL4218176 0.90 CTSK (0.52) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4045094 0.90 CTSK (0.51) CTSKCTSSCCR1MMP13MMP1
SCHEMBL4039332 0.89 CTSK (0.53) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4042980 0.89 CTSK (0.53) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4044038 0.89 CTSK (0.54) CTSKCTSSCCR1MMP2MMP9

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 3/4885CCR1 100/4885

“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.