SCHEMBL28997127

SCHEMBL28997127

COc1ccc(S(=O)(=O)n2cc(CO)c(OC)c2-c2ccc(F)cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ TDO2 P48775 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ OXTR P30559 2/20 0.34
▸ AVPR1A P37288 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ AVPR2 P30518 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 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
SCHEMBL30287349 1.00 MEN1 (0.36) MEN1KMT2APABPC1RPS6KA3F2RL3
SCHEMBL28996389 0.91 PTGS2 (0.40) KMT2APTGS1PTGS2SCN9AP2RX7
SCHEMBL30287358 0.91 PTGS2 (0.40) KMT2APTGS1PTGS2SCN9AP2RX7
SCHEMBL30250130 0.89 MEN1 (0.37) MEN1KMT2APABPC1RPS6KA3PTGS1
SCHEMBL26650833 0.89 MEN1 (0.37) MEN1KMT2APABPC1RPS6KA3PTGS1
SCHEMBL30427346 0.87 MEN1 (0.36) MEN1KMT2APABPC1RPS6KA3PTGS1
SCHEMBL28996384 0.86 KMT2A (0.38) MEN1KMT2APABPC1PTGS1PTGS2
SCHEMBL30287336 0.86 KMT2A (0.38) MEN1KMT2APABPC1PTGS1PTGS2
SCHEMBL30287363 0.84 ERN1 (0.41) MEN1KMT2APABPC1PTGS1PTGS2
SCHEMBL28996379 0.84 ERN1 (0.41) MEN1KMT2APABPC1PTGS1PTGS2

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
CN-115884968-B Novel acid secretion inhibitor and use thereof 日东制药株式会社 2024-06-21 — — CN disclosed
CN-115884968-A Novel acid secretion inhibitor and use thereof 日东制药株式会社 2023-03-31 — — CN disclosed
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