SCHEMBL27110752

SCHEMBL27110752

CC(C)(C)OC(=O)Nc1ccc(Oc2csc3cc(Br)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
SREBF2 Q12772 1/20 0.38
PSMB8 P28062 1/20 0.37
MAP4K4 O95819 1/20 0.37
BCL2 P10415 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BECN1 Q14457 1/20 0.36
CYP17A1 P05093 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL31483503 1.00 ESR1 (0.50) ESR1CA12CA1CA9SREBF2
SCHEMBL27110779 0.85 ESR1 (0.51) ESR1CA12CA1CA9SREBF2
SCHEMBL30846872 0.85 ESR1 (0.51) ESR1CA12CA1CA9SREBF2
SCHEMBL27153339 0.84 ALDH1A1 (0.41) ESR1MAP4K4NPC1RAB9ATDP1
SCHEMBL31483499 0.78 ALDH1A1 (0.52) PSMB8BCL2NPC1RAB9ATDP1
SCHEMBL29130752 0.77 AKR1C3 (0.43) PSMB8BCL2TDP1BECN1CYP17A1
SCHEMBL29130759 0.76 MEN1 (0.47) BCL2TDP1BECN1CYP17A1
SCHEMBL27110732 0.74 NPC1 (0.39) CA12CA1CA9BCL2NPC1
SCHEMBL467281 0.74 KMT2A (0.56) PSMB8BCL2NPC1RAB9ABECN1
SCHEMBL29131710 0.74 HPGD (0.59) CA12CA1CA9PSMB8MAP4K4

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-4577532-A1 NOVEL SUBSTITUTED BENZOTHIOPHENE-6-CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2025-07-02 EP disclosed
WO-2024042187-A1 NOVEL SUBSTITUTED BENZOTHIOPHENE-6-CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-02-29 WO disclosed
WO-2024042187-A1 NOVEL SUBSTITUTED BENZOTHIOPHENE-6-CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-02-29 WO disclosed