SCHEMBL1269823

SCHEMBL1269823

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.38
▸ LMNA P02545 6/20 0.38
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ GAA P10253 6/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL1269298 0.99 CCKBR (0.40) CCKBRALDH1A1LMNAATML3MBTL1
SCHEMBL1269830 0.93 GAA (0.43) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL1269799 0.90 PTGDR2 (0.40) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL1268503 0.90 PTGDR2 (0.41) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL12900202 0.88 CCKBR (0.36) CCKBRALDH1A1LMNAL3MBTL1PIK3C3
SCHEMBL1269048 0.87 PIK3C3 (0.39) CCKBRALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL1268612 0.87 PIK3C3 (0.35) CCKBRALDH1A1LMNAL3MBTL1PIK3C3
SCHEMBL1269628 0.87 CCKBR (0.43) CCKBRALDH1A1LMNAATML3MBTL1
SCHEMBL1269953 0.86 CCKBR (0.42) CCKBRALDH1A1LMNAATML3MBTL1
SCHEMBL1268625 0.86 ALDH1A1 (0.39) CCKBRALDH1A1LMNAATML3MBTL1

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 1384/4885ALDH1A1 2237/4885LMNA 2576/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG CCKBR 1384/4885ALDH1A1 2237/4885LMNA 2576/4885

“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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