SCHEMBL21597574

SCHEMBL21597574

N[C@H]1CCc2sc(NC(=O)C3CC34CC4)c(C(=O)O)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.40
PTPRC P08575 2/20 0.39
PTPN2 P17706 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRE P23469 2/20 0.39
PTPN6 P29350 1/20 0.39
FLT3 P36888 1/20 0.39
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
NOD1 Q9Y239 2/20 0.36

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
SCHEMBL30148439 0.84 MAPT (0.52) HPGDALDH1A1HSD17B10TSHRMAPT
SCHEMBL21597690 0.84 CNR2 (0.43) FLT3ALDH1A1TSHRMAPTLMNA
SCHEMBL21597159 0.74 FLT3 (0.67) FLT3HPGDALDH1A1HSD17B10TSHR
SCHEMBL30148402 0.74 FLT3 (0.67) FLT3HPGDALDH1A1HSD17B10TSHR
SCHEMBL30148408 0.74 FLT3 (0.67) FLT3HPGDALDH1A1HSD17B10TSHR
SCHEMBL28610570 0.73 KDM4E (0.52) HPGDALDH1A1HSD17B10TSHRMAPT
SCHEMBL21603914 0.71 KDM4E (0.70) FLT3HPGDALDH1A1HSD17B10MAPT
SCHEMBL28618673 0.71 KDM4E (0.70) FLT3HPGDALDH1A1HSD17B10MAPT
SCHEMBL21597466 0.69 KDM4E (0.53) PTPN1FLT3HSD17B10MAPTSMN1; SMN2
SCHEMBL28611808 0.68 KMT2A (0.51) HPGDALDH1A1HSD17B10TSHRMAPT

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-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed