SCHEMBL4040056

SCHEMBL4040056

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM1 P11229 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CTSK P43235 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL4039938 0.91 HSD17B10 (0.38) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4044663 0.91 HSD17B10 (0.37) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4043749 0.89 SMYD3 (0.35) ALDH1A1SMYD3TSHRMC4R
SCHEMBL4041928 0.89 CTSK (0.35) GAAALDH1A1CTSKITGB3ITGA2B
SCHEMBL4041227 0.89 CHRM1 (0.42) HSD17B10KDM4EGAAALDH1A1KMT2A
SCHEMBL4043005 0.88 HSD17B10 (0.36) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4043767 0.87 ALDH1A1 (0.40) KDM4EGAAALDH1A1KMT2APOLB
SCHEMBL4041865 0.87 ALDH1A1 (0.34) GAAALDH1A1KMT2ACTSKMC4R
SCHEMBL4044040 0.86 HSD17B10 (0.35) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4044086 0.85 CTSK (0.40) ELOVL6CTSK

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 10 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-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 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 1043/4885HCRTR2 1558/4885ELOVL6 4117/4885

“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.