SCHEMBL31052820

SCHEMBL31052820

CC(C)(C)CC[C@H](Nc1cncnc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 5/20 0.45
▸ SORT1 Q99523 5/20 0.45
▸ BCAT2 O15382 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CPB1 P15086 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL31052905 0.94 GRN (0.41) GRNSORT1BCAT2PYGLCYP2C9
SCHEMBL31052770 0.83 FDPS (0.44) GRNSORT1CYP2C9ALDH1A1
SCHEMBL31052871 0.82 GRN (0.45) GRNSORT1RIPK1HPGDMAPK1
SCHEMBL29213384 0.81 GRN (0.42) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL29213463 0.81 GRN (0.42) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL29213385 0.81 GRN (0.42) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL29213382 0.81 GRN (0.42) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL31052824 0.80 GRN (0.48) GRNSORT1PYGLCYP2C9RIPK1
SCHEMBL29213336 0.79 GRN (0.43) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL29213329 0.79 GRN (0.43) GRNSORT1PYGLCYP2C9ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP claimed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO claimed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP claimed
EP-4676914-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2026-01-14 — — EP disclosed
WO-2024184469-A1 MODULATORS OF SORTILIN ACTIVITY VESPER BIO APS (DK) 2024-09-12 — — WO disclosed
EP-4428121-A1 MODULATORS OF SORTILIN ACTIVITY Vesper Bio Aps (DK) 2024-09-11 — — EP disclosed
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