SCHEMBL1269726

SCHEMBL1269726

O=C(c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Sc1ccc(S(=O)(=O)C2CCOCC2)cc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 10/20 0.35
▸ CCR7 P32248 2/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ SCN9A Q15858 5/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.32
▸ MCL1 Q07820 1/20 0.32

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
SCHEMBL1268781 0.93 CCKBR (0.38) CCR6CCR7CCKBRSCN9APIK3C3
SCHEMBL1269770 0.89 GAA (0.42) CCKBRSCN9AGAASCN5A
SCHEMBL1269591 0.89 PIK3C3 (0.34) CCR6CCR7CCKBRSCN9APIK3C3
SCHEMBL1269586 0.85 PIK3C3 (0.38) CCKBRSCN9APIK3C3GAAMCL1
SCHEMBL1269953 0.85 CCKBR (0.42) CCR6CCKBRPIK3C3GAA
SCHEMBL1269628 0.84 CCKBR (0.43) CCR6CCKBRPIK3C3GAA
SCHEMBL1268965 0.84 PIK3C3 (0.37) CCKBRSCN9APIK3C3GAAMCL1
SCHEMBL1268610 0.84 SMN1; SMN2 (0.37) CCKBRPIK3C3GAA
SCHEMBL1268968 0.83 PPARG (0.37) CCKBRPIK3C3GAA
SCHEMBL1268967 0.83 PTGDR (0.36) PIK3C3

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 14 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
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 CCR6 4168/4885CCR7 4044/4885CCKBR 1384/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG CCR6 4168/4885CCR7 4044/4885CCKBR 1384/4885

“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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