SCHEMBL4042964

SCHEMBL4042964

CC(C)CC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.49
ELOVL6 Q9H5J4 1/20 0.40
CTSS P25774 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HCRTR2 O43614 1/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KCNQ1 P51787 1/20 0.35
CTSL P07711 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
SCHEMBL4043930 0.92 CTSK (0.41) CTSKELOVL6CTSSHSD17B10MAPT
SCHEMBL4037456 0.92 CTSK (0.51) CTSKELOVL6CTSSHSD17B10POLB
SCHEMBL4039854 0.91 CTSK (0.51) CTSKELOVL6CTSSHSD17B10HCRTR2
SCHEMBL4037128 0.91 CTSK (0.54) CTSKELOVL6CTSSHSD17B10HCRTR2
SCHEMBL4043775 0.90 CTSK (0.50) CTSKCTSSPOLBALDH1A1
SCHEMBL4041749 0.90 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2POLB
SCHEMBL4037353 0.90 CTSK (0.48) CTSKCTSSPOLB
SCHEMBL4042773 0.89 CTSK (0.55) CTSKELOVL6CTSSHSD17B10HCRTR2
SCHEMBL4052518 0.89 CTSK (0.51) CTSKCTSSHSD17B10HCRTR2POLB
SCHEMBL4040525 0.89 CTSK (0.53) CTSKCTSSHSD17B10HCRTR2POLB

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-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 2/4885ELOVL6 4117/4885CTSS 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.