Sugi Predict

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SCHEMBL4730237

SCHEMBL4730237

Cc1cc2c(cc1S(=O)(=O)NC1CCN(C(=O)O)CC1)S(=O)(=O)c1ccccc1C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCR8 P51685 16/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ WNT3 P56703 1/20 0.37
▸ SFRP1 Q8N474 1/20 0.37

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
SCHEMBL4730240 0.91 CCR8 (0.39) MEN1KMT2ACCR8CYP3A4CYP2C19
SCHEMBL4731311 0.90 SFRP1 (0.48) CCR8WNT3SFRP1
SCHEMBL4733321 0.89 CCR8 (0.47) CCR8CYP3A4CYP2C19WNT3SFRP1
SCHEMBL4733195 0.88 CCR8 (0.41) MEN1KMT2ACCR8
SCHEMBL4730981 0.88 SFRP1 (0.46) MEN1KMT2ACYP3A4CYP2C19WNT3
SCHEMBL4735361 0.88 CCR8 (0.39) MEN1KMT2ACCR8SFRP1
SCHEMBL4732159 0.88 SFRP1 (0.49) CCR8SFRP1
SCHEMBL4733956 0.85 PIK3CD (0.36) MEN1KMT2A
SCHEMBL4733960 0.85 PIK3CD (0.36) MEN1KMT2A
SCHEMBL4733258 0.85 SFRP1 (0.51) MEN1KMT2ASFRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 — — WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 — — WO disclosed