SCHEMBL4049935

SCHEMBL4049935

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.53
CTSS P25774 7/20 0.46
CTSL P07711 5/20 0.46
CTSV O60911 2/20 0.46
CHRM4 P08173 1/20 0.38
MAPK14 Q16539 1/20 0.36
HTRA1 Q92743 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
SLC6A7 Q99884 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
SCHEMBL4037084 0.91 CTSK (0.65) CTSKCTSSCTSLCTSVALDH1A1
SCHEMBL4040279 0.90 CTSK (0.54) CTSKCTSSCTSLCTSVCHRM4
SCHEMBL4043653 0.88 CTSK (0.66) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4042748 0.88 CTSK (0.49) CTSKCTSSCTSLCTSVCHRM4
SCHEMBL4043711 0.88 CTSS (0.43) CTSKCTSSCTSLCTSVCHRM4
SCHEMBL4043434 0.85 CTSK (0.48) CTSKCTSSCTSLCTSVCHRM4
SCHEMBL4044593 0.85 CTSS (0.45) CTSKCTSSCTSLCTSV
SCHEMBL4043478 0.84 CTSK (0.64) CTSKCTSSCTSLALDH1A1PKM
SCHEMBL4040591 0.83 CTSK (0.53) CTSKCTSSCTSLALDH1A1LMNA
SCHEMBL4046526 0.83 CTSK (0.72) CTSKCTSSCTSLCTSVALDH1A1

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 2/4885CTSS 3/4885CTSL 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.