SCHEMBL4039938

SCHEMBL4039938

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
HCRTR2 O43614 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
HPGD P15428 1/20 0.35
CHRM1 P11229 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL4040056 0.91 HSD17B10 (0.37) HSD17B10HCRTR2GAAALDH1A1KMT2A
SCHEMBL4044663 0.91 HSD17B10 (0.37) HSD17B10HCRTR2GAAALDH1A1KMT2A
SCHEMBL4041227 0.91 CHRM1 (0.42) HSD17B10GAAALDH1A1KMT2AKDM4E
SCHEMBL4043767 0.90 ALDH1A1 (0.40) GAAALDH1A1KMT2AKDM4EPOLB
SCHEMBL4040388 0.88 CTSK (0.35) ALDH1A1HPGDCHRM1KDM1A
SCHEMBL4043005 0.88 HSD17B10 (0.36) HSD17B10HCRTR2GAAALDH1A1KDM4E
SCHEMBL4038831 0.88 CHRM1 (0.39) CHRM1
SCHEMBL4044040 0.86 HSD17B10 (0.35) HSD17B10HCRTR2GAAALDH1A1KDM4E
SCHEMBL4039401 0.86 ALDH1A1 (0.37) GAAALDH1A1KMT2ASMN1; SMN2CACNA2D1
SCHEMBL4041508 0.85 CTSK (0.40)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551403-B1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARM INC (US) 2009-04-29 EP claimed
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 HSD17B10 1043/4885HCRTR2 1558/4885GAA 1120/4885

“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.