SCHEMBL4040150

SCHEMBL4040150

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
ALDH1A1 P00352 1/20 0.36
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
GPR132 Q9UNW8 3/20 0.35
PREP P48147 3/20 0.35
CCR1 P32246 2/20 0.35
FAP Q12884 2/20 0.35
ACACB O00763 1/20 0.35
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL4043775 0.92 CTSK (0.50) CTSKALDH1A1PREPCCR1FAP
SCHEMBL4041463 0.92 CTSK (0.43) CTSKALDH1A1GPR132PREPCCR1
SCHEMBL4043768 0.91 CTSK (0.42) CTSKALDH1A1MC4RMC3RMC1R
SCHEMBL4045200 0.91 CTSK (0.45) CTSKALDH1A1MC4RMC3RMC1R
SCHEMBL4043930 0.90 CTSK (0.41) CTSKGPR132PREPCCR1FAP
SCHEMBL4043857 0.90 CTSK (0.44) CTSKMC4RMC3RMC1RGPR132
SCHEMBL4041112 0.90 CTSK (0.46) CTSKMC4RMC3RMC1RPREP
SCHEMBL4040234 0.89 CTSK (0.54) CTSKALDH1A1MC4RMC3RMC1R
SCHEMBL4041145 0.89 CTSK (0.45) CTSKALDH1A1MC4RMC3RMC1R
SCHEMBL4038694 0.88 CTSK (0.39) CTSKMC4RMC3RMC1RGPR132

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 2/4885ALDH1A1 4151/4885MC4R 3708/4885

“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.