SCHEMBL3413232

SCHEMBL3413232

C[C@H](O)CNS(=O)(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.49
▸ CA1 P00915 6/20 0.47
▸ CA2 P00918 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TDO2 P48775 2/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL6035343 0.83 ENPP2 (0.45) ENPP2CA1CA2ALDH1A1GBA1
SCHEMBL6598439 0.83 MEN1 (0.48) ENPP2CA1CA2ALDH1A1GBA1
SCHEMBL174302 0.83 GBA1 (0.57) CA1CA2ALDH1A1GBA1PKM
SCHEMBL13508355 0.83 GBA1 (0.57) CA1CA2ALDH1A1GBA1PKM
SCHEMBL3716602 0.81 GBA1 (0.70) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6324022 0.81 CA1 (0.51) ENPP2CA1CA2ALDH1A1GBA1
SCHEMBL3723855 0.81 GBA1 (0.70) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL4463262 0.81 GBA1 (0.70) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL6789995 0.80 CA1 (0.57) CA1CA2ALDH1A1GBA1TSHR
SCHEMBL3412348 0.80 CA1 (0.52) CA1CA2ALDH1A1GBA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 — — EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 — — US disclosed
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 — — EP disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 — — US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 — — US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 — — 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 (3 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE ENPP2 402/4885CA1 4572/4885CA2 2716/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 ENPP2 2692/4885CA1 4572/4885CA2 2181/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE ENPP2 402/4885CA1 4572/4885CA2 2716/4885

“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.

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