SCHEMBL31075599

SCHEMBL31075599

CC(F)(F)CC[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.55
▸ PPARA Q07869 2/20 0.45
▸ CPA1 P15085 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ FOLH1 Q04609 3/20 0.43
▸ PPARG P37231 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MME P08473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31075397 0.88 SLC1A1 (0.45) SLC1A1PPARACA1FOLH1PPARG
SCHEMBL8811678 0.81 SLC1A1 (0.58) SLC1A1FOLH1PPARGCA2
SCHEMBL8811685 0.81 SLC1A1 (0.58) SLC1A1FOLH1PPARGCA2
SCHEMBL5941631 0.81 SLC1A1 (0.61) SLC1A1PPARACA1FOLH1CA2
SCHEMBL5941636 0.81 SLC1A1 (0.61) SLC1A1PPARACA1FOLH1CA2
SCHEMBL133567 0.80 SLC1A1 (0.57) SLC1A1PPARAFOLH1PPARG
SCHEMBL133566 0.80 SLC1A1 (0.57) SLC1A1PPARAFOLH1PPARG
SCHEMBL8839263 0.80 SLC1A1 (0.73) SLC1A1CPA1CA1FOLH1CA2
SCHEMBL18241231 0.80 SLC1A1 (0.60) SLC1A1PPARACA1FOLH1PPARG
SCHEMBL18241229 0.80 SLC1A1 (0.60) SLC1A1PPARACA1FOLH1PPARG

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
WO-2025043094-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2025-02-27 — — WO disclosed
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 — — WO disclosed
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