SCHEMBL4043646

SCHEMBL4043646

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
HPGDS O60760 1/20 0.38
CTSK P43235 2/20 0.38
CHRM4 P08173 1/20 0.36
HDAC1 Q13547 4/20 0.36
GPR132 Q9UNW8 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
HTR2A P28223 1/20 0.35
ACE P12821 1/20 0.35
HTRA1 Q92743 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CTSB P07858 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
SCHEMBL4041209 0.92 HPGDS (0.39) CTSSHPGDSCTSKCHRM4HDAC1
SCHEMBL4042901 0.92 CTSK (0.47) CTSSCTSLHPGDSCTSKHDAC1
SCHEMBL3947909 0.91 CTSK (0.39) CTSSHPGDSCTSKHDAC1GPR132
SCHEMBL4050314 0.90 CTSS (0.39) CTSSCTSVCTSLHPGDSCTSK
SCHEMBL4041482 0.89 CTSS (0.40) CTSSCTSVCTSLHPGDSCTSK
SCHEMBL4041889 0.87 CTSS (0.40) CTSSCTSVCTSLHPGDSCTSK
SCHEMBL4040781 0.87 CTSK (0.42) CTSSCTSVCTSLHPGDSCTSK
SCHEMBL4040540 0.87 CTSK (0.51) CTSSCTSVCTSLCTSKGPR132
SCHEMBL4042255 0.86 CTSS (0.42) CTSSCTSVCTSLCTSKCHRM4
SCHEMBL4041846 0.84 CTSK (0.42) CTSSCTSVCTSLHPGDSCTSK

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 CTSS 3/4885CTSV 29/4885CTSL 57/4885

“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.