SCHEMBL4043735

SCHEMBL4043735

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.43
MMP13 P45452 1/20 0.38
GPR132 Q9UNW8 2/20 0.38
ACE P12821 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
ADAM17 P78536 1/20 0.36
HTRA1 Q92743 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM4 P08173 2/20 0.35

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
SCHEMBL4037128 0.91 CTSK (0.54) CTSSCTSLCTSKMMP13ACE
SCHEMBL4040503 0.91 CTSK (0.44) CTSSCTSVCTSLCTSKMMP13
SCHEMBL4043868 0.90 CTSS (0.45) CTSSCTSVCTSLCTSKMMP13
SCHEMBL4042255 0.89 CTSS (0.42) CTSSCTSVCTSLCTSKGPR132
SCHEMBL4040008 0.88 CTSK (0.53) CTSSCTSVCTSLCTSKMAPT
SCHEMBL4042557 0.88 CTSS (0.45) CTSSCTSVCTSLCTSKMMP13
SCHEMBL4039009 0.88 CTSK (0.41) CTSSCTSVCTSLCTSKMMP13
SCHEMBL4044593 0.87 CTSS (0.45) CTSSCTSVCTSLCTSK
SCHEMBL4050314 0.85 CTSS (0.39) CTSSCTSVCTSLCTSKTP53
SCHEMBL4046951 0.84 CTSK (0.47) CTSSCTSVCTSLCTSKMMP13

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.