SCHEMBL39776

SCHEMBL39776

CS(=O)(=O)OCC#CCc1cccc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
MRGPRX4 Q96LA9 10/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.41
NR4A2 P43354 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL41062 0.81 FOLH1 (0.47) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL40066 0.76 FOLH1 (0.56) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL576723 0.76 FOLH1 (0.56) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL5464169 0.75 FOLH1 (0.47) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL45509 0.74 FOLH1 (0.50) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL15432604 0.73 KMT2A (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL31401245 0.71 FOLH1 (0.58) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL35452 0.71 FOLH1 (0.58) FOLH1MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL7282885 0.71 FOLH1 (0.61) FOLH1MRGPRX4NR4A2CA1CA2
SCHEMBL2705263 0.70 FOLH1 (0.59) FOLH1MRGPRX4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed