SCHEMBL1269628

SCHEMBL1269628

O=C(c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.43
▸ EPHX2 P34913 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR6 P51684 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BCL9 O00512 1/20 0.35

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
SCHEMBL1269953 0.99 CCKBR (0.42) CCKBREPHX2ALDH1A1ATML3MBTL1
SCHEMBL1269770 0.93 GAA (0.42) CCKBREPHX2ALDH1A1MEN1KMT2A
SCHEMBL1269665 0.90 HTT (0.40) EPHX2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1269493 0.89 HTT (0.38) EPHX2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1268781 0.88 CCKBR (0.38) CCKBRALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL1269823 0.87 CCKBR (0.41) CCKBRALDH1A1ATML3MBTL1MEN1
SCHEMBL1269298 0.86 CCKBR (0.40) CCKBRALDH1A1ATML3MBTL1MEN1
SCHEMBL1269586 0.86 PIK3C3 (0.38) CCKBRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1269584 0.85 ALDH1A1 (0.43) CCKBRALDH1A1ATML3MBTL1MEN1
SCHEMBL1269726 0.84 CCR6 (0.35) CCKBRGAAPIK3C3CCR6

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 1384/4885EPHX2 1942/4885ALDH1A1 2237/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG CCKBR 1384/4885EPHX2 1942/4885ALDH1A1 2237/4885

“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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