SCHEMBL23675192

SCHEMBL23675192

O=C(NC1CCS(O)(O)CC1)c1cc(Cl)cc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
MGLL Q99685 1/20 0.36
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.35
CNR1 P21554 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
LRRK2 Q5S007 1/20 0.34
DDR1 Q08345 1/20 0.34
JAK2 O60674 2/20 0.34
BRD4 O60885 2/20 0.34
HPGDS O60760 1/20 0.34
PTK2 Q05397 1/20 0.33

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
SCHEMBL23675353 0.98 HPGD (0.46) HPGDMGLLDPP4KCNH2DPP7
SCHEMBL23675194 0.94 HPGD (0.47) HPGDMGLLDPP4KCNH2DPP7
SCHEMBL29565028 0.94 HPGD (0.47) HPGDMGLLDPP4KCNH2DPP7
SCHEMBL23675354 0.92 HPGD (0.46) HPGDMGLLDPP4KCNH2DPP7
SCHEMBL23675113 0.88 HPGD (0.54) HPGDMGLLLRRK2DDR1
SCHEMBL23680599 0.84 HPGD (0.45) HPGDMGLLDPP4KCNH2DPP7
SCHEMBL23675112 0.83 HPGD (0.54) HPGDMGLLLRRK2DDR1
SCHEMBL23680762 0.82 HPGD (0.57) HPGDMGLLLRRK2DDR1
SCHEMBL23675203 0.81 HPGD (0.54) HPGDMGLLLRRK2DDR1
SCHEMBL29565019 0.81 HPGD (0.54) HPGDMGLLLRRK2DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed
WO-2021151014-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. (US) 2021-07-29 WO disclosed