SCHEMBL4043768

SCHEMBL4043768

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
ABL1 P00519 11/20 0.40
EPHX2 P34913 1/20 0.37
GPR132 Q9UNW8 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 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
SCHEMBL4042674 0.93 CTSK (0.51) CTSKABL1EPHX2GPR132AHR
SCHEMBL4041463 0.92 CTSK (0.43) CTSKGPR132LMNAALDH1A1
SCHEMBL4041112 0.92 CTSK (0.46) CTSKMC4RMC3RMC1R
SCHEMBL4040150 0.91 CTSK (0.41) CTSKGPR132ALDH1A1MC4RMC3R
SCHEMBL4045200 0.90 CTSK (0.45) CTSKGPR132ALDH1A1MC4RMC3R
SCHEMBL4037665 0.90 LMNA (0.44) CTSKABL1GPR132LMNAHTT
SCHEMBL4040234 0.90 CTSK (0.54) CTSKGPR132LMNAHTTALDH1A1
SCHEMBL4043857 0.90 CTSK (0.44) CTSKGPR132MC4RMC3RMC1R
SCHEMBL4040275 0.89 CTSK (0.40) CTSKABL1EPHX2GPR132LMNA
SCHEMBL4041145 0.88 CTSK (0.45) CTSKSMN1; SMN2ALDH1A1MC4RMC3R

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 2/4885ABL1 3576/4885EPHX2 1083/4885

“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.