SCHEMBL1268781

SCHEMBL1268781

O=C(c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Sc1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ CCR6 P51684 6/20 0.35
▸ CCR7 P32248 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ PTGDR Q13258 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1269726 0.93 CCR6 (0.35) CCKBRPIK3C3CCR6CCR7GAA
SCHEMBL1268967 0.90 PTGDR (0.36) PIK3C3PTGDRPTGDR2
SCHEMBL1269953 0.89 CCKBR (0.42) CCKBRPIK3C3CCR6GAAHCRTR1
SCHEMBL1268612 0.88 PIK3C3 (0.35) CCKBRPIK3C3CCR6CCR7GAA
SCHEMBL1269628 0.88 CCKBR (0.43) CCKBRPIK3C3CCR6GAAHCRTR1
SCHEMBL12900202 0.88 CCKBR (0.36) CCKBRPIK3C3CCR6CCR7GAA
SCHEMBL1269586 0.87 PIK3C3 (0.38) CCKBRPIK3C3GAAHCRTR1HCRTR2
SCHEMBL1268965 0.86 PIK3C3 (0.37) CCKBRPIK3C3GAAHCRTR1HCRTR2
SCHEMBL1268610 0.86 SMN1; SMN2 (0.37) CCKBRPIK3C3GAAHCRTR1HCRTR2
SCHEMBL1268968 0.85 PPARG (0.37) CCKBRPIK3C3GAAHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 — — US disclosed
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 — — US disclosed
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 — — US disclosed
EP-1786782-B1 BISARYL-SULFONAMIDES AMGEN INC (US) 2010-03-31 — — EP disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 — — US disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 — — US disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 — — US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 — — US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 — — US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 — — US disclosed
EP-1786782-A2 BISARYL-SULFONAMIDES Amgen Inc. (US) 2007-05-23 — — EP disclosed
US-20060084802-A1 Bisaryl-sulfonamides AMGEN INC. 2006-04-20 — — US disclosed
WO-2006020830-A2 BISARYL-SULFONAMIDES AMGEN INC. (US) 2006-02-23 — — 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-20090221584-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG CCKBR 1384/4885PIK3C3 1316/4885CCR6 4168/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG CCKBR 1384/4885PIK3C3 1316/4885CCR6 4168/4885

“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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