SCHEMBL4041112

SCHEMBL4041112

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
PREP P48147 3/20 0.36
FAP Q12884 2/20 0.36
CCR1 P32246 1/20 0.36
CTSS P25774 2/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
KDM1A O60341 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
HIF1A Q16665 5/20 0.35
EPAS1 Q99814 5/20 0.35
CYP3A4 P08684 1/20 0.34
TRPA1 O75762 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL4040234 0.94 CTSK (0.54) CTSKPREPFAPCCR1CTSS
SCHEMBL4037336 0.92 CTSK (0.56) CTSKPREPFAPCCR1CTSS
SCHEMBL4043857 0.92 CTSK (0.44) CTSKPREPFAPCCR1CTSS
SCHEMBL4043768 0.92 CTSK (0.42) CTSKMC4RMC3RMC1R
SCHEMBL4041145 0.91 CTSK (0.45) CTSKPREPFAPCCR1CTSS
SCHEMBL4041463 0.90 CTSK (0.43) CTSKPREPFAPCCR1KDM1A
SCHEMBL4039055 0.90 CTSK (0.54) CTSKPREPFAPCCR1CTSS
SCHEMBL4041799 0.90 CTSK (0.45) CTSKPREPFAPCCR1CTSS
SCHEMBL4040150 0.90 CTSK (0.41) CTSKPREPFAPCCR1CTSS
SCHEMBL4040328 0.89 CTSK (0.42) CTSKPREPFAPCCR1CTSS

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 2/4885PREP 1823/4885FAP 3455/4885

“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.