SCHEMBL4040930

SCHEMBL4040930

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40
CTSK P43235 3/20 0.40
GPR132 Q9UNW8 4/20 0.39
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CTSS P25774 2/20 0.35
CTSB P07858 1/20 0.35
MMP13 P45452 1/20 0.35
FKBP1A P62942 1/20 0.35
CMKLR2 P46091 1/20 0.34
CMKLR1 Q99788 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 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
SCHEMBL4039009 0.90 CTSK (0.41) ACECTSKGPR132MC4RMC5R
SCHEMBL4041209 0.90 HPGDS (0.39) ACECTSKMC4RMC5RMC3R
SCHEMBL4042873 0.90 CTSK (0.48) ACECTSKMC4RMC5RMC3R
SCHEMBL4044330 0.89 CTSK (0.41) ACECTSKGPR132MC4RMC5R
SCHEMBL4042255 0.89 CTSS (0.42) ACECTSKGPR132TAAR1CTSS
SCHEMBL4043635 0.89 CTSK (0.52) ACECTSKGPR132CTSSCTSL
SCHEMBL4040938 0.88 CTSK (0.40) CTSKGPR132CTSSCTSBMMP13
SCHEMBL4039411 0.88 CTSK (0.43) ACECTSKGPR132MMP13FKBP1A
SCHEMBL4042863 0.87 CTSK (0.44) ACECTSKGPR132MC4RMC5R
SCHEMBL4041519 0.85 CTSK (0.42) CTSKCTSSCTSBCTSVCTSL

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-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 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 ACE 3804/4885CTSK 2/4885GPR132 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.