SCHEMBL29952604

SCHEMBL29952604

Cc1cc(C(F)(F)F)ccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
TRPV6 Q9H1D0 2/20 0.45
ORAI1 Q96D31 1/20 0.45
ORAI2 Q96SN7 1/20 0.45
ORAI3 Q9BRQ5 1/20 0.45
PDE2A O00408 4/20 0.40
KIF11 P52732 1/20 0.39
CES2 O00748 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL581357 1.00 MGLL (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL4841354 0.85 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29427029 0.85 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL1396618 0.84 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL496773 0.81 CES2 (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29508599 0.81 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL15010827 0.81 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29755537 0.81 PDE2A (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL582110 0.81 PDE2A (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29349652 0.81 CES2 (0.50) MGLLTRPV6ORAI1ORAI2ORAI3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215450-A1 THIAZOLE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-16 WO disclosed
EP-4590672-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-07-30 EP disclosed
CN-119907797-A Phthalazine derivatives as NOD-like receptor protein 3 inhibitors 默沙东有限责任公司 2025-04-29 CN disclosed
WO-2024226603-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-10-31 WO disclosed
WO-2024064245-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-03-28 WO disclosed
WO-2022250104-A1 QUINOLONE DERIVATIVE HAVING ANTIMALARIAL ACTIVITY 国立大学法人長崎大学 2022-12-01 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed