SCHEMBL27765640

SCHEMBL27765640

C=CC(N1C(C)CN(c2ccc(C(F)(F)F)c(Cl)c2)CC1C)S(=O)(=O)c1ccc2c(c1)C(C(=O)O)CC2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.42
HSD11B1 P28845 8/20 0.37
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 6/20 0.34

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
SCHEMBL28780715 0.92 NOTUM (0.34) NOTUMHSD11B1NR1H2NR1H3
SCHEMBL27744707 0.88 NOTUM (0.36) NOTUM
SCHEMBL27744699 0.87 NOTUM (0.44) NOTUMHSD11B1NR1H2NR1H3
SCHEMBL27744690 0.85 NOTUM (0.43) NOTUMHSD11B1NR1H2NR1H3
SCHEMBL1470445 0.84 NOTUM (0.47) NOTUMHSD11B1
SCHEMBL1470442 0.84 NOTUM (0.47) NOTUMHSD11B1
SCHEMBL27765595 0.80 HSD11B1 (0.40) HSD11B1
SCHEMBL27765691 0.79 NOTUM (0.36) NOTUMNR1H2NR1H3
SCHEMBL20309058 0.78 NOTUM (0.49) NOTUMHSD11B1NR1H2NR1H3
SCHEMBL27765780 0.77 NR1H2 (0.35) NOTUMHSD11B1NR1H2NR1H3

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
CN-101421258-B Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYPSYS INC 2013-08-21 CN disclosed
CN-101421258-A Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYSPSYS INC (US) 2009-04-29 CN disclosed