SCHEMBL2651606

SCHEMBL2651606

OCc1cccc(CS)c1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
APOBEC3G Q9HC16 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRB2 P47870 1/20 0.31
FOLH1 Q04609 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL27388 0.87 APOBEC3G (0.46) APOBEC3GGABRA1GABRG2GABRB3PDCD1
Benzene SCHEMBL7199484 0.85 PDCD1 (0.46) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL11862358 0.80 APOBEC3G (0.41) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL6073331 0.77 IDO1 (0.50) IDO1APOBEC3GPDCD1CD274ALDH1A1
SCHEMBL330503 0.76 IDO1 (0.48) IDO1GABRA1GABRB2
SCHEMBL17417172 0.76 GABRA1 (0.52) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL167807 0.73 HSPA5 (0.44) IDO1APOBEC3GGABRA1GABRG2GABRB3
SCHEMBL30182764 0.73 HSPA5 (0.44) IDO1APOBEC3GGABRA1GABRG2GABRB3
SCHEMBL17417165 0.73 GABRA1 (0.39) APOBEC3GGABRA1GABRG2GABRB3PDCD1
SCHEMBL620083 0.71 TAAR1 (0.42) IDO1APOBEC3GGABRA1GABRG2GABRB3

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 IDO1 992/4885APOBEC3G 4415/4885GABRA1 1577/4885

“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.