SCHEMBL4037663

SCHEMBL4037663

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 1/20 0.40
LHCGR P22888 2/20 0.38
SLC2A1 P11166 1/20 0.37
NAMPT P43490 1/20 0.37
ACE P12821 3/20 0.37
F2 P00734 1/20 0.37
GRIA1 P42261 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL4040969 0.94 CTSK (0.51) CTSKCTSSSLC2A1NAMPTACE
SCHEMBL4037679 0.92 CTSK (0.49) CTSKCTSSF2CA2USP30
SCHEMBL4042537 0.92 CTSK (0.49) CTSKCTSSACEF2MAPT
SCHEMBL4044111 0.90 CTSK (0.52) CTSKCTSSLHCGRACEF2
SCHEMBL4039023 0.90 CTSK (0.50) CTSKCTSSLHCGRACEF2
SCHEMBL4039791 0.90 CTSK (0.64) CTSKCTSSNAMPTMAPTTHRB
SCHEMBL4040210 0.89 CTSK (0.53) CTSKCTSSSLC2A1NAMPTMAPT
SCHEMBL4040008 0.89 CTSK (0.53) CTSKCTSSSLC2A1NAMPTMAPT
SCHEMBL4039780 0.88 CTSK (0.52) CTSKCTSSACECA1CA2
SCHEMBL4043182 0.87 CTSK (0.50) CTSKCTSSNAMPTF2MAPT

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
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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 3/4885LHCGR 1687/4885

“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.