SCHEMBL4617271

SCHEMBL4617271

COc1cccc(S(=O)(=O)c2ccc(C(F)(F)F)c(S(=O)(=O)NCCC#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
PARG Q86W56 1/20 0.42
MEP1B Q16820 1/20 0.41
SFRP1 Q8N474 7/20 0.41
WNT3 P56703 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
AKR1C3 P42330 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL4617984 0.91 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPARG
SCHEMBL4617730 0.87 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8MEP1B
SCHEMBL4618479 0.86 SFRP1 (0.53) PDE4APDE4BPDE4CPDE4DPARG
SCHEMBL4617687 0.85 SFRP1 (0.46) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL4619104 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPARG
SCHEMBL4616116 0.79 NAMPT (0.53) SFRP1ALDH1A1POLBAKR1C3NAMPT
SCHEMBL4616809 0.77 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8MEP1B
SCHEMBL4616582 0.77 ALDH1A1 (0.61) SFRP1WNT3ALDH1A1POLBAKR1C3
SCHEMBL4617127 0.74 MAPK1 (0.61) SFRP1WNT3ALDH1A1POLBCNR2
SCHEMBL6102516 0.73 SFRP1 (0.58) SFRP1WNT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP claimed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US claimed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO claimed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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 (1 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 PDE4A 2507/4885PDE4B 3199/4885PDE4C 3001/4885

“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.