SCHEMBL4498285

SCHEMBL4498285

COc1cccc(CN2CC3(CCN(S(=O)(=O)c4ccccc4C(=O)O)CC3)OC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
FABP4 P15090 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CCR8 P51685 1/20 0.42
SSTR5 P35346 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1086684 0.93 PKM (0.43) PKMLMNAHTTSIRT2SIRT1
SCHEMBL4502178 0.86 MMP2 (0.40) FABP4SIRT2SIRT1SSTR5MMP13
SCHEMBL1086446 0.83 HSD17B10 (0.42) LMNAHTTSIRT2SIRT1MMP13
SCHEMBL4499411 0.82 TACR2 (0.46) PKMLMNAHTTSSTR5ALDH1A1
SCHEMBL1086616 0.80 PTGFR (0.44) PKMLMNAHTTALDH1A1GAA
SCHEMBL1086450 0.79 ALDH1A1 (0.41) PKMLMNAHTTSIRT2SIRT1
SCHEMBL1085958 0.78 HSD17B10 (0.43) PKMLMNASSTR5TSHR
SCHEMBL1086348 0.77 HTT (0.46) LMNAHTTSIRT2SIRT1CCR8
SCHEMBL1086659 0.76 MEN1 (0.51) PKMLMNAHTTSIRT2SIRT1
SCHEMBL1086618 0.75 NPC1 (0.55) LMNAHTTSIRT2SIRT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 1973/4885LMNA 3413/4885HTT 2340/4885

“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.