Sugi Predict

Sugi Predict / Compounds / SCHEMBL2434037

SCHEMBL2434037

SCHEMBL2434037

O=[N+]([O-])c1ccc2c(c1)B(O)OCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.73
▸ CA2 P00918 6/20 0.73
▸ CA12 O43570 5/20 0.73
▸ CA9 Q16790 5/20 0.73
▸ ADRA2A P08913 1/20 0.41
▸ PNMT P11086 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ GPR35 Q9HC97 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL29522840 0.84 CA1 (1.00) CA1CA2CA12CA9CA4
SCHEMBL594681 0.84 CA1 (1.00) CA1CA2CA12CA9CA4
SCHEMBL12317779 0.80 CA2 (0.53) CA1CA2CA12CA9PNMT
SCHEMBL12317639 0.79 MAPT (0.55) CA1CA2CA12CA9MEN1
SCHEMBL10172203 0.76 CA1 (0.56) CA1CA2CA12CA9ADRA2A
SCHEMBL12475269 0.75 CA1 (0.77) CA1CA2CA12CA9CA4
SCHEMBL20788610 0.74 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL2426235 0.74 CA1 (0.65) CA1CA2CA12CA9ADRA2A
SCHEMBL2428999 0.74 CA1 (0.61) CA1CA2CA12CA9PNMT
SCHEMBL23219874 0.72 CA1 (0.58) CA1CA2CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623911-B2 Boron-containing small molecules as anti-protozoal agent ANACOR PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-8623911-B2 Boron-containing small molecules as anti-protozoal agent ANACOR PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-8623911-B2 Boron-containing small molecules as anti-protozoal agent ANACOR PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
WO-2011116348-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2011-09-22 — — WO disclosed
WO-2011116348-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT ANACOR PHARMACEUTICALS, INC. (US) 2011-09-22 — — 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-20130231304-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENT BRDT, BRI3BP, BTN3A1 CA1 1827/4885CA2 190/4885CA12 862/4885

“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.