Sugi Predict

Sugi Predict / Compounds / SCHEMBL3963986

SCHEMBL3963986

SCHEMBL3963986

CC(C)(C(=O)Nc1nc(-c2ccccc2)co1)S(=O)(=O)c1ccccc1.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.43
▸ CNR1 P21554 4/20 0.43
▸ HSD11B1 P28845 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 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
SCHEMBL1463796 0.89 CNR2 (0.52) CNR2CNR1HSD11B1
SCHEMBL3963850 0.89 RORC (0.41) CNR2CNR1HSD11B1ALDH1A1MAPT
SCHEMBL1465040 0.84 HSD11B1 (0.55) CNR2CNR1HSD11B1
SCHEMBL3960763 0.82 MEN1 (0.38) CNR2CNR1ALDH1A1MAPT
SCHEMBL3967901 0.79 FFAR2 (0.49) CNR2CNR1HSD11B1
SCHEMBL3966458 0.78 CNR2 (0.49) CNR2CNR1HSD11B1
SCHEMBL12095656 0.75 CNR2 (0.56) CNR2CNR1HSD11B1ALDH1A1MAPT
SCHEMBL3967412 0.74 CNR2 (0.51) CNR2CNR1MAPT
SCHEMBL1463777 0.74 CNR2 (0.58) CNR2CNR1MAPT
SCHEMBL1464719 0.72 CNR2 (0.56) CNR2CNR1ALDH1A1

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
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 — — EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO claimed