SCHEMBL4039893

SCHEMBL4039893

CC(C)CC(NC(=O)Oc1ccc2ncccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
ELANE P08246 1/20 0.33
CTSL P07711 6/20 0.33
CTSS P25774 6/20 0.33
CTSB P07858 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CTSV O60911 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4043183 0.93 CTSK (0.43) CTSKALDH1A1MMP1MMP3MMP9
SCHEMBL4044339 0.93 ALDH1A1 (0.37) CTSKALDH1A1MMP1MMP3MMP9
SCHEMBL4045961 0.90 CTSK (0.39) CTSKTAS1R3TAS1R1ALDH1A1MMP1
SCHEMBL4043226 0.90 CTSK (0.40) CTSKTAS1R3TAS1R1ALDH1A1CTSL
SCHEMBL4041373 0.88 CTSK (0.38) CTSKTAS1R3TAS1R1ALDH1A1MMP1
SCHEMBL4045571 0.88 CTSK (0.46) CTSKMMP1MMP3MMP9ELANE
SCHEMBL4039972 0.87 CTSK (0.40) CTSKTAS1R3TAS1R1ALDH1A1MMP1
SCHEMBL4051965 0.86 MC4R (0.38) CTSKALDH1A1MMP1MMP3MMP9
SCHEMBL4050010 0.86 CTSK (0.44) CTSKALDH1A1CTSLCTSSCTSB
SCHEMBL4045238 0.85 CTSK (0.42) CTSKMMP1MMP3MMP9ELANE

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 4 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-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

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 2/4885TAS1R3 2219/4885TAS1R1 2032/4885

“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.