SCHEMBL21597724

SCHEMBL21597724

COC(=O)c1c(N)sc2c1C[C@@H](NC(=O)OCc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ACHE P22303 2/20 0.56
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CPB1 P15086 1/20 0.46
TLR4 O00206 1/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
EPHX1 P07099 1/20 0.43
ADORA1 P30542 1/20 0.42
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 4/20 0.41

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
SCHEMBL21597643 1.00 CA1 (0.56) CA1CA2ACHECTSLCTSB
Hydrochloric Acid SCHEMBL30148429 0.99 CA1 (0.56) CA1CA2ACHECTSLCTSB
Hydrochloric Acid SCHEMBL28612448 0.84 CA1 (0.48) CA1CA2ACHECTSLCTSB
SCHEMBL21597786 0.83 CA1 (0.49) CA1CA2ACHECTSLCTSB
SCHEMBL28617426 0.83 CA1 (0.49) CA1CA2ACHECTSLCTSB
SCHEMBL31564245 0.81 CA1 (0.50) CA1CA2ACHECTSLCTSB
SCHEMBL21597678 0.77 CA1 (0.48) CA1CA2ACHECTSLCTSB
SCHEMBL31564482 0.77 CA1 (0.50) CA1CA2ACHECTSLCTSB
SCHEMBL31564113 0.77 CA1 (0.50) CA1CA2ACHECTSLCTSB
SCHEMBL31564178 0.77 CA1 (0.50) CA1CA2ACHECTSLCTSB

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-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed