SCHEMBL4502178

SCHEMBL4502178

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FABP4 P15090 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
MCL1 Q07820 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD11B1 P28845 1/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1086446 0.90 HSD17B10 (0.42) MMP2MMP13SIRT2SIRT1TSHR
SCHEMBL4498285 0.86 PKM (0.43) MMP13SIRT2SIRT1FABP4TSHR
SCHEMBL4499411 0.84 TACR2 (0.46) TACR2TACR1MCL1SMN1; SMN2USP2
SCHEMBL1086778 0.81 NPC1 (0.39) SIRT2SIRT1TACR2TACR1SMN1; SMN2
SCHEMBL1086125 0.81 KDM4E (0.45) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086684 0.80 PKM (0.43) MMP13SIRT2SIRT1MEN1KMT2A
SCHEMBL1086245 0.79 TACR2 (0.37) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086487 0.78 SIRT2 (0.42) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086488 0.78 KDM4E (0.42) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL4256335 0.78 SIRT2 (0.42) SIRT2SIRT1KDM4ETACR2TACR1

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 MMP2 3128/4885MMP13 1667/4885SIRT2 205/4885

“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.