SCHEMBL2651865

SCHEMBL2651865

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30355310 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL1646544 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL6835473 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL28839936 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL30259474 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL30382166 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL674718 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRAKR1C3CA12
SCHEMBL4619018 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15AKR1C3CA12CA1
SCHEMBL16668526 0.78 TDP1 (0.47) ALDH1A1TSHRCA12CA1CA2
SCHEMBL29101464 0.78 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRAKR1C3CA12

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 1838/4885ALOX15 3998/4885TSHR 3783/4885

“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.