Sugi Predict

Sugi Predict / Compounds / SCHEMBL1820030

SCHEMBL1820030

SCHEMBL1820030

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3c(cc2F)COB3O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ NHERF1 O14745 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GUSB P08236 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ PDE3A Q14432 1/20 0.34

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
SCHEMBL1825282 0.91 CA1 (0.54) CA1CA2CA12CA9CRHBP
SCHEMBL1822801 0.86 CA2 (0.54) CA1CA2CA12CA9CRHBP
SCHEMBL1820482 0.84 CA1 (0.45) CA1CA2CA12CA9MAPT
SCHEMBL1822892 0.83 CA1 (0.60) CA1CA2CA12CA9IDH1
SCHEMBL1823910 0.81 CA1 (0.43) CA1CA2CA12CA9TDP1
SCHEMBL1827408 0.80 CA2 (0.54) CA1CA2CA12CA9CRHBP
SCHEMBL1825541 0.77 ALDH1A1 (0.45) CA1CA2CA12CA9PDE3A
SCHEMBL2191604 0.77 CA1 (0.48) CA1CA2CA12CA9PDE3A
SCHEMBL1822668 0.76 CA1 (0.39) CA1CA2CA12CA9HSD11B1
SCHEMBL2409582 0.75 CA1 (0.42) CA1CA2CA12CA9PDE3A

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 — — US disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 — — US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 — — 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 (2 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD CA1 4452/4885CA2 1155/4885CA12 564/4885
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD CA1 4452/4885CA2 1155/4885CA12 564/4885

“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.