SCHEMBL31336112

SCHEMBL31336112

CC(=O)c1cc(C(=O)O)c(O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.42
HTT P42858 2/20 0.41
ACMSD Q8TDX5 2/20 0.41
ALDH1A1 P00352 5/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALB P02768 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL9025859 0.85 KDM4E (0.44) CA1CA2CA12CA7CA9
SCHEMBL15495179 0.83 ALOX15 (0.47) HTTALDH1A1TSHRHPGDMEN1
SCHEMBL4167959 0.83 HTT (0.52) CSNK2A1HTTALDH1A1CA1CA2
SCHEMBL5461436 0.81 HTT (0.41) HTTALDH1A1TSHRHPGDMEN1
SCHEMBL15835586 0.81 HTT (0.54) CSNK2A1HTTALDH1A1CA1CA2
SCHEMBL2551682 0.81 CA1 (0.48) CSNK2A1HTTACMSDALDH1A1CA1
SCHEMBL31335910 0.79 CA12 (0.49) HTTALDH1A1CA1CA2CA12
SCHEMBL15294890 0.79 HSP90AB1 (0.49) CSNK2A1ACMSDALDH1A1CA1CA2
SCHEMBL25343188 0.79 HTT (0.52) CSNK2A1HTTACMSDALDH1A1CA1
SCHEMBL15524577 0.79 CA1 (0.46) CSNK2A1HTTACMSDALDH1A1CA1

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
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed