SCHEMBL2650858

SCHEMBL2650858

O=CC(=O)c1cccc(F)c1C(=O)C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
BCHE P06276 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
ALB P02768 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ERN1 O75460 1/20 0.38
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38

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
SCHEMBL6272157 0.87 CES2 (0.58) CES2CES1ALDH1A1BCHETDP1
SCHEMBL11702408 0.85 ALDH1A1 (0.46) CES2CES1GAAALDH1A1ALOX15
Water SCHEMBL11418867 0.83 ALDH1A1 (0.44) CES2CES1GAAALDH1A1ALOX15
SCHEMBL295344 0.83 CES2 (0.62) CES2CES1GAAALDH1A1ALOX15
Water SCHEMBL29955657 0.81 CES2 (0.60) CES2CES1GAAALDH1A1ALOX15
Water SCHEMBL9329581 0.81 CES2 (0.60) CES2CES1GAAALDH1A1ALOX15
Water SCHEMBL28342642 0.80 CES2 (0.61) CES2CES1GAAALDH1A1ALOX15
SCHEMBL27201537 0.78 CES2 (0.47) CES2CES1GAAALDH1A1ALOX15
SCHEMBL2652860 0.78 ALDH1A1 (0.50) CES2CES1ALDH1A1TDP1TSHR
SCHEMBL24094486 0.74 GAA (0.44) CES2CES1GAAALDH1A1ALOX15

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
CN-112888674-B Polycyclic compounds as soluble epoxide hydrolase inhibitors 巴塞罗那大学 2023-06-30 CN disclosed
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6482951-B2 ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020082260-A1 Isoindolin-1-one glucokinase activators GUERTIN KEVIN RICHARD (US) 2002-06-27 US disclosed
WO-2002048106-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA-ROCHE AG (CH) 2002-06-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020082260-A1 Isoindolin-1-one glucokinase activators GCKR, GCK, PGK2 CES2 2269/4885CES1 1329/4885GAA 687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.