Sugi Predict

Sugi Predict / Compounds / SCHEMBL2878680

SCHEMBL2878680

SCHEMBL2878680

CC(C)(COCCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CA12 O43570 6/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ CA7 P43166 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ EPHX1 P07099 1/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ APLNR P35414 1/20 0.31
▸ CTSK P43235 1/20 0.30
▸ LATS1 O95835 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22405497 0.90 TDP1 (0.42) TDP1GAAKMT2AMEN1CA12
SCHEMBL16774891 0.87 CTSK (0.38) TDP1GAAKMT2AMEN1CA12
SCHEMBL23802557 0.87 TDP1 (0.47) TDP1GAAKMT2AMEN1CA12
SCHEMBL32688498 0.83 TDP1 (0.37) TDP1GAAKMT2AMEN1CA12
SCHEMBL22123749 0.81 TDP1 (0.34) TDP1GAAKMT2AMEN1CA12
SCHEMBL15243945 0.81 CNR2 (0.38) TDP1GAAKMT2AMEN1CA12
SCHEMBL2869542 0.80 CA12 (0.36) TDP1GAAKMT2AMEN1CA12
SCHEMBL16215641 0.80 TDP1 (0.33) TDP1GAAKMT2AMEN1CA12
SCHEMBL12974880 0.80 KDM4E (0.39) TDP1GAAKMT2AMEN1CA12
SCHEMBL16215652 0.80 TDP1 (0.33) TDP1

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 10 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
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
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 — — EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 — — WO 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 TDP1 2864/4885GAA 2230/4885KMT2A 1714/4885

“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.