SCHEMBL31052871

SCHEMBL31052871

CC(C)(C)CC[C@H](Nc1ccncc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 3/20 0.45
▸ SORT1 Q99523 3/20 0.45
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP2 P08253 5/20 0.37
▸ MMP3 P08254 3/20 0.37
▸ BCHE P06276 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ PLK1 P53350 2/20 0.35
▸ CDC7 O00311 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
SCHEMBL31052824 0.86 GRN (0.48) GRNSORT1SMN1; SMN2MAPTHPGD
SCHEMBL31052770 0.83 FDPS (0.44) GRNSORT1LMNAHTTSMN1; SMN2
SCHEMBL31052820 0.82 GRN (0.45) GRNSORT1HPGDMAPK1RIPK1
SCHEMBL31052926 0.81 GRN (0.44) GRNSORT1MMP2MAPTHPGD
SCHEMBL31052883 0.81 GRN (0.44) GRNSORT1MMP2MAPTHPGD
SCHEMBL31052893 0.80 ITGAV (0.44) GRNSORT1KDM4ERIPK1
SCHEMBL29213283 0.79 RAB9A (0.44) GRNSORT1LMNAHTTKDM4E
SCHEMBL29213280 0.79 RAB9A (0.44) GRNSORT1LMNAHTTKDM4E
SCHEMBL1457767 0.79 SMN1; SMN2 (0.49) LMNAHTTSMN1; SMN2BCHEMDM2
SCHEMBL16013365 0.79 ALDH1A1 (0.48) LMNAHPGDMAPK1

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