Sugi Predict

Sugi Predict / Compounds / SCHEMBL2876384

SCHEMBL2876384

SCHEMBL2876384

CC(C)(C)OC(=O)NC1(COS(C)(=O)=O)CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.40
▸ CA12 O43570 4/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA1 P00915 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ PPIA P62937 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ APLNR P35414 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
SCHEMBL18131268 0.96 P2RX7 (0.36) P2RX7CA12CA14CA2CA1
SCHEMBL10239091 0.93 CA12 (0.36) P2RX7CA12CA14CA2CA1
SCHEMBL25568644 0.82 P2RX7 (0.35) P2RX7CA12CA14CA2CA1
SCHEMBL425587 0.81 EPHX2 (0.36) CA12CA14CA2CA1CA7
SCHEMBL2809077 0.80 P2RX7 (0.41) P2RX7CA12CA14CA2CA1
SCHEMBL20876663 0.80 CA12 (0.31) CA12CA14CA2CA1CA7
SCHEMBL565122 0.80 CA12 (0.31) CA12CA14CA2CA1CA7
SCHEMBL1517602 0.79 P2RX7 (0.41) P2RX7CA12CA14CA2CA1
SCHEMBL941564 0.79 P2RX7 (0.44) P2RX7CA12CA14CA2CA1
SCHEMBL12975362 0.79 P2RX7 (0.44) P2RX7CA12CA14CA2CA1

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 P2RX7 3672/4885CA12 4784/4885CA14 4652/4885

“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.