SCHEMBL4042863

SCHEMBL4042863

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
ACE P12821 2/20 0.42
GPR132 Q9UNW8 6/20 0.40
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
CMKLR2 P46091 1/20 0.36
CMKLR1 Q99788 1/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
TAAR1 Q96RJ0 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
CHRM4 P08173 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
SCHEMBL4041957 0.89 CTSK (0.42) CTSKACEMC4RMC5RMC3R
SCHEMBL4044071 0.89 CTSK (0.54) CTSKACEMC4RMC5RMC3R
SCHEMBL4046951 0.88 CTSK (0.47) CTSKACEGPR132CMKLR2CMKLR1
SCHEMBL4042595 0.88 CTSK (0.57) CTSKACEGPR132CTSLCTSS
SCHEMBL4042871 0.88 CTSK (0.48) CTSKACEGPR132NPC1TP53
SCHEMBL4040930 0.87 ACE (0.40) CTSKACEGPR132MC4RMC5R
SCHEMBL4039009 0.85 CTSK (0.41) CTSKACEGPR132MC4RMC5R
SCHEMBL4044330 0.84 CTSK (0.41) CTSKACEGPR132MC4RMC5R
SCHEMBL4042748 0.83 CTSK (0.49) CTSKACECTSVCTSLCTSS
SCHEMBL4044197 0.81 CTSK (0.63) CTSKACECTSVCTSLCTSS

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 2/4885ACE 3804/4885GPR132 844/4885

“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.