SCHEMBL4043005

SCHEMBL4043005

CC(C)CC(CC(=O)N1CC2C=CC=CC2C1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
HCRTR2 O43614 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CHRM1 P11229 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
ATM Q13315 1/20 0.33
CTSK P43235 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 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
SCHEMBL4044040 0.96 HSD17B10 (0.35) HSD17B10ELOVL6HCRTR2GAAKDM4E
SCHEMBL4042443 0.89 CTSK (0.34) GAACTSK
SCHEMBL4039288 0.89 FKBP1A (0.35) SMYD3
SCHEMBL4039938 0.88 HSD17B10 (0.38) HSD17B10ELOVL6HCRTR2GAAKDM4E
SCHEMBL4040056 0.88 HSD17B10 (0.37) HSD17B10ELOVL6HCRTR2GAAKDM4E
SCHEMBL4044663 0.88 HSD17B10 (0.37) HSD17B10ELOVL6HCRTR2GAAKDM4E
SCHEMBL4042023 0.87 CTSK (0.33) GAACTSKALDH1A1
SCHEMBL4043184 0.86 CTSK (0.33) GAACTSK
SCHEMBL4040399 0.86 CTSK (0.39) ELOVL6CTSK
SCHEMBL4041227 0.86 CHRM1 (0.42) HSD17B10GAAKDM4ECHRM1ALDH1A1

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 HSD17B10 1043/4885ELOVL6 4117/4885HCRTR2 1558/4885

“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.