SCHEMBL4044115

SCHEMBL4044115

CC(C)CC(CC(=O)N1CCNCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
MC4R P32245 1/20 0.33
CALCRL Q16602 1/20 0.33
KMT2A Q03164 1/20 0.32
CTSL P07711 3/20 0.31
CTSS P25774 3/20 0.31
TMPRSS11D O60235 1/20 0.31
CTSB P07858 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL4044245 0.92 REN (0.35) CTSKCALCRLKMT2ACTSLCTSS
SCHEMBL4044024 0.91 REN (0.38) CTSKCALCRLKMT2ACTSLCTSS
SCHEMBL4043258 0.90 KDM4E (0.39) CTSKKMT2AKDM4EALDH1A1NPSR1
SCHEMBL4044086 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4039387 0.88 ALDH1A1 (0.41) KMT2ATMPRSS11DKDM4EALDH1A1
SCHEMBL4040398 0.88 CTSK (0.33) CTSKCALCRLKMT2ACTSLCTSS
SCHEMBL4041733 0.86 CTSK (0.34) CTSKMC4RCTSLCTSSCTSB
SCHEMBL4045641 0.86 CTSK (0.32) CTSKCALCRLKMT2ACTSLCTSS
SCHEMBL4043749 0.86 SMYD3 (0.35) MC4RTMPRSS11DALDH1A1
SCHEMBL4042416 0.83 CTSK (0.35) CTSKCALCRLKMT2ACTSLCTSS

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 2/4885MC4R 3708/4885CALCRL 220/4885

“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.