SCHEMBL4039854

SCHEMBL4039854

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.51
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSS P25774 2/20 0.39
AHR P35869 1/20 0.39
HSD17B10 Q99714 1/20 0.37
ELOVL6 Q9H5J4 1/20 0.37
ABL1 P00519 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
CTSL P07711 1/20 0.36
NAMPT P43490 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
SCHEMBL4037665 0.92 LMNA (0.44) CTSKLMNAHTTSMN1; SMN2CTSS
SCHEMBL4042773 0.91 CTSK (0.55) CTSKCTSSHSD17B10ELOVL6HCRTR2
SCHEMBL4037456 0.91 CTSK (0.51) CTSKLMNACTSSHSD17B10ELOVL6
SCHEMBL4042964 0.91 CTSK (0.49) CTSKCTSSHSD17B10ELOVL6HCRTR2
SCHEMBL4042674 0.90 CTSK (0.51) CTSKCTSSAHRABL1GPR132
SCHEMBL4037128 0.90 CTSK (0.54) CTSKCTSSHSD17B10ELOVL6HCRTR2
SCHEMBL4043304 0.90 CTSK (0.49) CTSKCTSSAHRGPR132NAMPT
SCHEMBL4039791 0.89 CTSK (0.64) CTSKLMNAHTTCTSSHSD17B10
SCHEMBL4041749 0.89 CTSK (0.53) CTSKLMNACTSSHSD17B10HCRTR2
SCHEMBL4052518 0.88 CTSK (0.51) CTSKLMNACTSSHSD17B10HCRTR2

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 2/4885LMNA 3686/4885HTT 2905/4885

“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.