SCHEMBL1619079

SCHEMBL1619079

COc1ccc(CN2C(=O)c3c(F)ccc(F)c3C2SCC(=O)Nc2ccc(C(=O)O)cn2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CACNA1H O95180 8/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALKBH1 Q13686 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GCK P35557 1/20 0.35
PTGER4 P35408 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1619288 0.87 MEN1 (0.45) MAPK1ALDH1A1MAPT
SCHEMBL1619167 0.84 TP53 (0.43) MAPK1HSD11B1GAAALDH1A1GCK
SCHEMBL2659556 0.81 MAPK10 (0.42) MAPK1CACNA1HHSD11B1GAAALDH1A1
SCHEMBL1619263 0.78 HCRTR1 (0.43) MAPK1ALDH1A1MAPT
SCHEMBL2643471 0.78 MAPK10 (0.40) MAPK1CACNA1HHSD11B1GAAALDH1A1
SCHEMBL2666597 0.78 CACNA1H (0.38) MAPK1CACNA1HHSD11B1ALDH1A1MAPT
SCHEMBL2644216 0.76 TSHR (0.41) CACNA1HKDM4EALDH1A1GCKMAPT
SCHEMBL1618842 0.75 ALDH1A1 (0.42) CACNA1HKDM4EGAAALDH1A1MAPT
SCHEMBL5457175 0.74 CACNA1H (0.39) CACNA1HKDM4EGAAALDH1A1POLB
SCHEMBL1618943 0.74 MAPT (0.49) KDM4EGAAALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US claimed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE BIAN HAIYAN 2009-08-13 US disclosed
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE BIAN HAIYAN 2009-08-13 US disclosed
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE BIAN HAIYAN 2009-08-13 US disclosed
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US disclosed
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US disclosed
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US disclosed
EP-1951706-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053662-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
WO-2007053662-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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 (2 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-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase GCK, GCKR, GPR119 MAPK1 940/4885CACNA1H 2716/4885HSD11B1 736/4885
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE GCK, GCKR, GPR119 MAPK1 873/4885CACNA1H 2772/4885HSD11B1 654/4885

“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.