SCHEMBL31052825

SCHEMBL31052825

Cc1cc(N[C@@H](CCC(C)(C)C)C(=O)O)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 5/20 0.44
▸ GRN P28799 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PYGL P06737 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PRNP P04156 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ITGB1 P05556 4/20 0.34
▸ ITGA4 P13612 4/20 0.34
▸ ITGAV P06756 1/20 0.33
▸ ITGB6 P18564 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL31052822 0.84 GRN (0.42) SORT1GRNALDH1A1PYGLCYP2C9
SCHEMBL31052821 0.81 GRN (0.44) SORT1GRNALDH1A1PYGLCYP2C9
SCHEMBL31052763 0.80 GRN (0.42) SORT1GRNALDH1A1HPGDPYGL
SCHEMBL31052875 0.78 GRN (0.57) SORT1GRNALDH1A1CYP2C9ITGB1
SCHEMBL31052893 0.78 ITGAV (0.44) SORT1GRNPYGLCYP2C9ITGAV
SCHEMBL31052826 0.76 GRN (0.41) SORT1GRNALDH1A1HPGDPYGL
SCHEMBL31052896 0.75 SORT1 (0.40) SORT1GRNPYGLCYP2C9ITGB1
SCHEMBL31052820 0.74 GRN (0.45) SORT1GRNALDH1A1HPGDPYGL
SCHEMBL31052861 0.74 GRN (0.42) SORT1GRNALDH1A1SMN1; SMN2
SCHEMBL31052801 0.73 GRN (0.46) SORT1GRNPYGLCYP2C9RIPK1

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
Send feedback