SCHEMBL2866972

SCHEMBL2866972

COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PPIA P62937 2/20 0.34
HSD11B1 P28845 3/20 0.33
EPHX2 P34913 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CTSL P07711 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL31250659 0.92 CYP4F2 (0.44) CYP4F2CYP4A11PPIAHSD11B1EPHX2
SCHEMBL392092 0.88 USP2 (0.44) EPHX2ALDH1A1USP2SMN1; SMN2
SCHEMBL1282312 0.88 PPIA (0.34) CYP4F2CYP4A11PPIAHSD11B1EPHX2
SCHEMBL28936689 0.85 CYP4F2 (0.36) CYP4F2CYP4A11PPIAHSD11B1EPHX2
SCHEMBL22962352 0.85 ALDH1A1 (0.36) CYP4F2CYP4A11PPIAHSD11B1EPHX2
SCHEMBL1820679 0.84 MAPT (0.39) PPIAMAPTCTSLMEN1MAPK1
SCHEMBL10194444 0.84 EPHX2 (0.34) CYP4F2CYP4A11PPIAHSD11B1EPHX2
SCHEMBL21777942 0.83 EPHX2 (0.39) PPIAHSD11B1EPHX2USP2SMN1; SMN2
SCHEMBL1350921 0.81 MAPT (0.47) CYP4F2CYP4A11PPIAMAPTCTSL
SCHEMBL4094284 0.81 MAPT (0.44) PPIAHSD11B1MAPTCTSLMEN1

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-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO CYP4F2 2052/4885CYP4A11 4304/4885PPIA 4019/4885

“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.