SCHEMBL3414929

SCHEMBL3414929

CC1(C)OB(c2ccc(S(=O)(=O)CN3CCS(=O)(=O)CC3)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.40
▸ CA2 P00918 9/20 0.40
▸ CA9 Q16790 9/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ LPL P06858 8/20 0.38
▸ LIPG Q9Y5X9 8/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F11 P03951 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
SCHEMBL4312481 0.84 CA1 (0.41) CA1CA2CA9CA12CA3
SCHEMBL17394350 0.81 KCNH2 (0.44) CA1CA2CA9CA12CA3
SCHEMBL217370 0.79 MEN1 (0.57) LPLLIPGNPC1ALDH1A1MEN1
SCHEMBL28621374 0.77 LIPG (0.52) CA1CA2CA9LPLLIPG
SCHEMBL1236200 0.74 KDM4E (0.46) CA1CA2CA9CA12CA3
SCHEMBL23370108 0.74 AOC2 (0.44) CA1CA2CA9CA12CA3
SCHEMBL25304075 0.74 HPGD (0.50) CA1CA2CA9ALDH1A1
SCHEMBL23370110 0.72 AOC2 (0.43) CA1CA2CA9CA12CA3
SCHEMBL17394109 0.72 HRH3 (0.46) CA1CA2CA9NPC1ALDH1A1
SCHEMBL2800281 0.72 NPC1 (0.42) CA1CA2CA9LPLLIPG

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 4 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
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

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 CA1 4572/4885CA2 2716/4885CA9 4583/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 CA1 4572/4885CA2 2181/4885CA9 4204/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE CA1 4572/4885CA2 2716/4885CA9 4583/4885

“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.

Send feedback