SCHEMBL2651206

SCHEMBL2651206

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.33
GUSB P08236 1/20 0.33
ERN1 O75460 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL11702408 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1BCHEGUSB
Water SCHEMBL11418867 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1TDP1BCHEGUSB
SCHEMBL2652860 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1
SCHEMBL2651865 0.73 ALDH1A1 (0.44) ALDH1A1CA1CA2
SCHEMBL2650858 0.73 CES2 (0.50) ALDH1A1MAPK1TDP1BCHEERN1
SCHEMBL420969 0.70 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1BCHEGUSB
SCHEMBL19183590 0.68 ALDH1A1 (0.41) ALDH1A1
Water SCHEMBL11415614 0.68 HNF4A (0.47) ALDH1A1MAPK1TDP1
Water SCHEMBL11409301 0.68 HNF4A (0.47) ALDH1A1MAPK1TDP1
SCHEMBL1200734 0.67 ALDH1A1 (0.40) ALDH1A1MAPK1TDP1BCHEGUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1838/4885MAPK1 937/4885TDP1 3375/4885

“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.