SCHEMBL4041707

SCHEMBL4041707

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.43
CTSL P07711 6/20 0.43
CTSV O60911 2/20 0.43
CTSK P43235 8/20 0.43
MAPK14 Q16539 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
MMP13 P45452 1/20 0.34
CHRM4 P08173 1/20 0.34
HTRA1 Q92743 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4038859 0.91 CTSK (0.53) CTSSCTSLCTSKMAPK14LMNA
SCHEMBL4045232 0.91 CTSK (0.44) CTSSCTSLCTSVCTSKMAPK14
SCHEMBL4040241 0.89 CTSK (0.54) CTSSCTSLCTSVCTSKLMNA
SCHEMBL4044593 0.89 CTSS (0.45) CTSSCTSLCTSVCTSK
SCHEMBL4040938 0.88 CTSK (0.40) CTSSCTSLCTSVCTSKMAPK14
SCHEMBL4042255 0.87 CTSS (0.42) CTSSCTSLCTSVCTSKCHRM4
SCHEMBL4043711 0.87 CTSS (0.43) CTSSCTSLCTSVCTSKMAPK14
SCHEMBL4041889 0.86 CTSS (0.40) CTSSCTSLCTSVCTSKLMNA
SCHEMBL4043681 0.85 CTSK (0.52) CTSSCTSLCTSKLMNAALDH1A1
SCHEMBL4051552 0.84 CTSK (0.58) CTSSCTSLCTSVCTSKALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP claimed
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 3/4885CTSL 57/4885CTSV 29/4885

“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.