SCHEMBL31363722

SCHEMBL31363722

COc1ccc(S(C)(=O)=O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
CASR P41180 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL30177475 0.89 IRAK4 (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL24853597 0.89 IRAK4 (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL1186312 0.88 CA2 (0.54) MMP1MMP2MMP9MMP8MMP13
SCHEMBL1007951 0.82 GPR119 (0.49) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2002399 0.82 ALDH1A1 (0.60) KMT2AALDH1A1GAALMNAMEN1
SCHEMBL13294871 0.81 KMT2A (0.61) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL26376249 0.81 GPR119 (0.45) SMN1; SMN2KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL29991362 0.80 GAA (0.60) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL115661 0.80 GAA (0.60) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL29812028 0.80 PDK1 (0.61) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed