SCHEMBL2651603

SCHEMBL2651603

OCc1cccc(C=S)c1CO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL216868 0.79 ALDH1A1 (0.35) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL8955156 0.79 MEN1 (0.42) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL27388 0.77 APOBEC3G (0.46) APOBEC3GGABRA1GABRG2GABRB3PDCD1
Benzene SCHEMBL7199484 0.74 PDCD1 (0.46) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL11862358 0.70 APOBEC3G (0.41) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL167807 0.69 HSPA5 (0.44) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL30182764 0.69 HSPA5 (0.44) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL9712092 0.68 TDP1 (0.39) APOBEC3G
SCHEMBL16961000 0.68 GABRA1 (0.39) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL620083 0.67 TAAR1 (0.42) APOBEC3GGABRA1GABRG2GABRB3PDCD1

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 APOBEC3G 4415/4885GABRA1 1577/4885GABRG2 1000/4885

“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.