SCHEMBL4041928

SCHEMBL4041928

CC(C)CC(CC(=O)N1CCNCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
PREP P48147 3/20 0.33
FAP Q12884 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MC4R P32245 1/20 0.32
MAPK1 P28482 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
CCR1 P32246 1/20 0.30
DPP4 P27487 2/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
GAA P10253 1/20 0.30
KDM5A P29375 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL4040388 0.92 CTSK (0.35) CTSKPREPFAPALDH1A1MAPK1
SCHEMBL4038283 0.91 ALDH1A1 (0.38) CTSKPREPFAPALDH1A1GAA
SCHEMBL4045270 0.89 CYP2C9 (0.38) CTSKALDH1A1GAA
SCHEMBL4040056 0.89 HSD17B10 (0.37) CTSKALDH1A1MC4RITGB3ITGA2B
SCHEMBL4042443 0.88 CTSK (0.34) CTSKPREPFAPMAPK1GAA
SCHEMBL4045109 0.88 LMNA (0.40) CTSKALDH1A1MAPK1
SCHEMBL4043184 0.87 CTSK (0.33) CTSKPREPFAPCCR1GAA
SCHEMBL4043749 0.87 SMYD3 (0.35) ALDH1A1MC4R
SCHEMBL4041733 0.86 CTSK (0.34) CTSKALDH1A1MC4RDPP4DPP9
SCHEMBL4038004 0.83 ALDH1A1 (0.37) CTSKALDH1A1GAA

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 6 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

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 2/4885PREP 1823/4885FAP 3455/4885

“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.