SCHEMBL4782745

SCHEMBL4782745

CC(C)c1cccc2c1c(S(=O)(=O)NC1CCN(C(=O)CCCC(=O)O)CC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 4/20 0.52
CCR8 P51685 14/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
WNT3 P56703 2/20 0.40

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
SCHEMBL4784223 0.89 HTR1A (0.42) SFRP1CCR8HTR1AHTR7WNT3
SCHEMBL4783673 0.86 CCR8 (0.51) CCR8
SCHEMBL4785194 0.85 SFRP1 (0.65) SFRP1WNT3
SCHEMBL14208234 0.84 HTR6 (0.49) SFRP1CCR8WNT3
SCHEMBL4802468 0.84 HTR1A (0.46) HTR1AHTR7
SCHEMBL14207899 0.82 HTR6 (0.43) HTR1AHTR7
SCHEMBL4781850 0.82 SFRP1 (0.44) SFRP1CCR8HTR1AHTR7
SCHEMBL4782531 0.82 SFRP1 (0.53) SFRP1HTR1AHTR7
SCHEMBL4784467 0.82 HTR6 (0.42) HTR1AHTR7
SCHEMBL4783875 0.81 HTR6 (0.56) SFRP1HTR1AHTR7WNT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed