SCHEMBL1086446

SCHEMBL1086446

COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)CN(Cc1cccc(Br)c1)C(=O)O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
POLB P06746 2/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
LMNA P02545 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL4502178 0.90 MMP2 (0.40) MMP2MMP13SIRT2SIRT1TSHR
SCHEMBL1086684 0.90 PKM (0.43) HSD17B10MMP13LMNASIRT2SIRT1
SCHEMBL1085958 0.85 HSD17B10 (0.43) HSD17B10FNTAFNTBPOLBLMNA
SCHEMBL4498285 0.83 PKM (0.43) MMP13LMNASIRT2SIRT1HTT
SCHEMBL1086778 0.78 NPC1 (0.39) SIRT2SIRT1
SCHEMBL1086317 0.77 KDM4E (0.41) LMNAALDH1A1
SCHEMBL4256335 0.77 SIRT2 (0.42) SIRT2SIRT1TSHR
SCHEMBL1086244 0.76 NPC1 (0.42) POLBSIRT2SIRT1TSHRALDH1A1
SCHEMBL1086239 0.76 GPR119 (0.43)
SCHEMBL1086125 0.76 KDM4E (0.45) SIRT2SIRT1HTTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US claimed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC HSD17B10 1550/4885FNTA 4732/4885FNTB 4785/4885

“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.