SCHEMBL4041845

SCHEMBL4041845

COc1ccc(CC(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
USP30 Q70CQ3 3/20 0.44
HTRA1 Q92743 6/20 0.40
CTSS P25774 1/20 0.39
CA2 P00918 1/20 0.37
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CDK5 Q00535 1/20 0.36
PAX8 Q06710 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE P12821 1/20 0.36
KMT2A Q03164 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
SCHEMBL6210306 0.93 CTSK (0.43) CTSKUSP30HTRA1CA2MC4R
SCHEMBL4045247 0.93 CTSK (0.52) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4038989 0.92 CTSK (0.51) CTSKUSP30CTSSMC4RMC3R
SCHEMBL4044739 0.90 CTSK (0.52) CTSKUSP30CTSSCA2
SCHEMBL4038930 0.89 CTSK (0.52) CTSKHTRA1CTSSNPC1PKM
SCHEMBL4041977 0.88 CTSK (0.61) CTSKUSP30HTRA1CTSSNPC1
SCHEMBL4039168 0.88 CTSK (0.43) CTSKUSP30HTRA1NPC1PKM
SCHEMBL4044816 0.88 CTSK (0.65) CTSKCTSS
SCHEMBL4039691 0.88 CTSK (0.50) CTSKUSP30HTRA1CTSSCA2
SCHEMBL4041797 0.88 CTSK (0.50) CTSKUSP30CTSSCA2MC4R

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 2/4885USP30 2688/4885HTRA1 2004/4885

“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.