SCHEMBL20501449

SCHEMBL20501449

CS(=O)(=O)C1CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL21807152 0.88 DPP4 (0.37) RIPK1KDM4EALDH1A1
SCHEMBL4893081 0.86 GAA (0.36) ALDH1A1
SCHEMBL34472707 0.81 TP53 (0.32) TP53
SCHEMBL3660031 0.75 CA1 (0.33)
SCHEMBL6097416 0.72
SCHEMBL8509354 0.69 DPP4 (0.36)
SCHEMBL21063648 0.69 TP53 (0.33) KDM4EALDH1A1TP53
SCHEMBL26927164 0.69 NPC1 (0.34) KDM4EALDH1A1TP53
SCHEMBL28059103 0.68 CA12 (0.37) ALDH1A1
SCHEMBL27368424 0.68 POLB (0.35) RIPK1

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-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP claimed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO claimed