SCHEMBL4044663

SCHEMBL4044663

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 1/20 0.36
REN P00797 3/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
NAMPT P43490 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4046534 0.92 ALDH1A1 (0.35) HSD17B10ELOVL6KDM4EHPGDCHRM1
SCHEMBL4039938 0.91 HSD17B10 (0.38) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4040056 0.91 HSD17B10 (0.37) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4041227 0.90 CHRM1 (0.42) HSD17B10KDM4ECHRM1ALDH1A1LMNA
SCHEMBL4042902 0.89 REN (0.37) RENHPGDALDH1A1LMNASMYD3
SCHEMBL4043230 0.89 CTSS (0.40) RENHPGD
SCHEMBL4038283 0.89 ALDH1A1 (0.38) RENALDH1A1LMNAHTTGAA
SCHEMBL4043005 0.88 HSD17B10 (0.36) HSD17B10HCRTR2ELOVL6KDM4EHPGD
SCHEMBL4043767 0.87 ALDH1A1 (0.40) KDM4EALDH1A1LMNAGAAKMT2A
SCHEMBL4043526 0.87 KMT2A (0.35) RENALDH1A1GAAKMT2A

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 9 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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 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 1558/4885REN 1289/4885

“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.