SCHEMBL2659253

SCHEMBL2659253

Cc1c(O)c(O)cc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.50
TSHR P16473 9/20 0.50
HPGD P15428 7/20 0.50
CYP3A4 P08684 7/20 0.50
HSP90AA1 P07900 2/20 0.50
CASP1 P29466 1/20 0.48
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 4/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 3/20 0.39
CHRM1 P11229 2/20 0.39
TBXA2R P21731 2/20 0.39
ADRA1A P35348 2/20 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
SCHEMBL11384008 0.82 HSD17B10 (0.52) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL26018812 0.82 HSD17B10 (0.43) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL13997274 0.82 HSD17B10 (0.59) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL10592132 0.82 HSD17B10 (0.59) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL7023508 0.80 HSD17B10 (0.44) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL157574 0.80 SIRT1 (0.48) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL212921 0.80 HSD17B10 (0.55) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL22138546 0.77 HSD17B10 (0.59) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL4450834 0.77 HSD17B10 (0.43) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL7630509 0.76 HSD17B10 (0.44) HSD17B10TSHRHPGDCYP3A4HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101395165-A Ligand, method for preparing the same and catalyst using the same UNIV TOKYO (JP) 2009-03-25 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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US 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
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US 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 HSD17B10 2317/4885TSHR 3783/4885HPGD 457/4885

“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.