SCHEMBL4046339

SCHEMBL4046339

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(F)cc2)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
USP30 Q70CQ3 1/20 0.42
CTSS P25774 1/20 0.41
MC4R P32245 2/20 0.40
MC3R P41968 2/20 0.40
MC1R Q01726 2/20 0.40
ACE P12821 2/20 0.40
GPR132 Q9UNW8 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
F2 P00734 1/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4043376 0.94 CTSK (0.56) CTSKCTSSACEGPR132ALDH1A1
SCHEMBL4044931 0.92 CTSK (0.54) CTSKUSP30CTSSACEGPR132
SCHEMBL8348784 0.90 CTSK (0.65) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4223835 0.90 CTSK (0.65) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4223839 0.90 CTSK (0.65) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4223836 0.90 CTSK (0.65) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4041333 0.90 CTSK (0.69) CTSKCTSSACEALDH1A1LMNA
SCHEMBL4046323 0.89 CTSK (0.54) CTSKCTSSACEGPR132ALDH1A1
SCHEMBL4037811 0.89 CTSK (0.57) CTSKCTSSACEGPR132ALDH1A1
SCHEMBL4049108 0.89 CTSK (0.57) CTSKCTSSACEGPR132ALDH1A1

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 5 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
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 2/4885USP30 2688/4885CTSS 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.