SCHEMBL4040388

SCHEMBL4040388

CC(C)CC(CC(=O)N1CCN(C)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRM1 P11229 1/20 0.34
PREP P48147 2/20 0.33
FAP Q12884 1/20 0.33
MAPK1 P28482 1/20 0.33
DPP4 P27487 1/20 0.32
KDM1A O60341 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
REN P00797 3/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL4041928 0.92 CTSK (0.35) CTSKALDH1A1PREPFAPMAPK1
SCHEMBL4038283 0.92 ALDH1A1 (0.38) CTSKALDH1A1PREPFAPREN
SCHEMBL4045270 0.91 CYP2C9 (0.38) CTSKALDH1A1
SCHEMBL4045109 0.90 LMNA (0.40) CTSKALDH1A1MAPK1
SCHEMBL4042443 0.89 CTSK (0.34) CTSKPREPFAPMAPK1MMP1
SCHEMBL4039938 0.88 HSD17B10 (0.38) ALDH1A1CHRM1KDM1AHPGD
SCHEMBL4043184 0.88 CTSK (0.33) CTSKPREPFAPMMP1MMP3
SCHEMBL4038831 0.86 CHRM1 (0.39) CHRM1REN
SCHEMBL4043017 0.85 CTSK (0.34) CTSKALDH1A1DPP4MMP1MMP3
SCHEMBL4038004 0.84 ALDH1A1 (0.37) CTSKALDH1A1

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 2/4885ALDH1A1 4151/4885CHRM1 364/4885

“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.