SCHEMBL4039780

SCHEMBL4039780

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccc[n+]([O-])c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ACE P12821 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACE2 Q9BYF1 2/20 0.35
F10 P00742 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34

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
SCHEMBL4039737 0.94 CTSK (0.51) CTSKCTSSCA2ALDH1A1MEN1
SCHEMBL4040497 0.92 CTSK (0.50) CTSKCTSSALDH1A1MEN1KMT2A
SCHEMBL4048167 0.92 CTSK (0.50) CTSKCTSSCA2ALDH1A1MEN1
SCHEMBL4037036 0.90 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4040650 0.90 CTSK (0.65) CTSKCTSSCA1CA2CA12
SCHEMBL4038812 0.89 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4040998 0.89 CTSK (0.52) CTSKCTSSCA1CA2CA12
SCHEMBL4037663 0.88 CTSK (0.51) CTSKCTSSCA1CA2CA12
SCHEMBL4041764 0.87 CTSK (0.51) CTSKCTSSALDH1A1MEN1KMT2A
SCHEMBL4039969 0.84 CTSK (0.54) CTSKCTSSACECTSVCTSL

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 3/4885CA1 60/4885

“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.