SCHEMBL22556779

SCHEMBL22556779

CS(=O)(=O)CCCOc1ccc(C(=O)CNC(=O)CCl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
SCN9A Q15858 3/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.39
NLRP1 Q9C000 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PDE4B Q07343 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL22570669 0.81 RAB9A (0.43) THRATHRBHPGDTSHRRAB9A
SCHEMBL22570643 0.81 THRA (0.48) THRATHRBSCN9AHPGDTSHR
SCHEMBL22556736 0.81 THRA (0.48) THRATHRBSCN9AHPGDTSHR
SCHEMBL29391574 0.81 THRA (0.48) THRATHRBSCN9AHPGDTSHR
Hydrochloric Acid SCHEMBL29392777 0.80 THRA (0.47) THRATHRBSCN9AHPGDTSHR
Hydrochloric Acid SCHEMBL22556835 0.80 THRA (0.47) THRATHRBSCN9AHPGDTSHR
SCHEMBL22570670 0.80 TAS1R3 (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL22556768 0.80 MRGPRX4 (0.53) THRATHRBSCN9AHPGDTSHR
SCHEMBL22570705 0.70 TSHR (0.43) TSHRRAB9ANPC1LMNASMN1; SMN2
SCHEMBL29391102 0.70 TSHR (0.43) TSHRRAB9ANPC1LMNASMN1; SMN2

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
WO-2022083853-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR GBIOTECH S.À.R.L. (CH) 2022-04-28 WO disclosed
EP-3956323-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Gbiotech S.À.R.L. (CH) 2022-02-23 EP disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed