SCHEMBL4039009

SCHEMBL4039009

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
MMP13 P45452 1/20 0.38
ACE P12821 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
ADAM17 P78536 1/20 0.36
CTSL P07711 3/20 0.35
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
GPR132 Q9UNW8 1/20 0.35
KCNQ1 P51787 1/20 0.35
NAMPT P43490 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 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
SCHEMBL4044330 0.91 CTSK (0.41) CTSKMMP13ACEMMP2ADAM17
SCHEMBL4040930 0.90 ACE (0.40) CTSKMMP13ACECTSLCTSS
SCHEMBL4043182 0.89 CTSK (0.50) CTSKCTSLCTSSMC4RMC5R
SCHEMBL4040456 0.89 CTSK (0.39) CTSKCTSLCTSSCTSVMC4R
SCHEMBL4043485 0.88 CTSK (0.41) CTSKMMP13CTSLCTSSCTSV
SCHEMBL4037128 0.88 CTSK (0.54) CTSKMMP13ACEMMP1MMP2
SCHEMBL4043735 0.88 CTSS (0.44) CTSKMMP13ACEMMP1MMP2
SCHEMBL4041519 0.88 CTSK (0.42) CTSKCTSLCTSSCTSV
SCHEMBL4040503 0.88 CTSK (0.44) CTSKMMP13ACEMMP1MMP2
SCHEMBL4042863 0.85 CTSK (0.44) CTSKACECTSLCTSSCTSV

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 2/4885MMP13 72/4885ACE 3804/4885

“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.