SCHEMBL25166941

SCHEMBL25166941

CC(=O)OC[C@H]1OC(c2ccc(Br)c(COc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.63
▸ PTPN1 P18031 1/20 0.45
▸ CA12 O43570 9/20 0.43
▸ CA1 P00915 9/20 0.43
▸ CA2 P00918 8/20 0.43
▸ CA9 Q16790 6/20 0.43
▸ CA4 P22748 7/20 0.43
▸ CA5A P35218 7/20 0.43
▸ CA7 P43166 7/20 0.43
▸ CA5B Q9Y2D0 7/20 0.43
▸ CA6 P23280 4/20 0.43
▸ CA13 Q8N1Q1 4/20 0.43
▸ CA14 Q9ULX7 4/20 0.43
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL1713931 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL25440550 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL21022679 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL25166723 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL3787332 0.89 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL14247838 0.89 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL14782693 0.89 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL25171315 0.88 TSHR (0.62) TSHRPTPN1CA12CA1CA2
SCHEMBL21022864 0.88 TSHR (0.62) TSHRPTPN1CA12CA1CA2
SCHEMBL1713321 0.88 TSHR (0.62) TSHRPTPN1CA12CA1CA2

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-3862003-B1 AN SGLT-2 INHIBITOR FOR USE IN THE TREATMENT OF A METABOLIC DISORDER IN FELINE ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-10-25 — — EP disclosed
EP-3485890-B1 SGLT2 INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS IN CANINE ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-05-10 — — EP disclosed
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