SCHEMBL2644007

SCHEMBL2644007

CC1(C)Cc2c(Oc3ccc(C(=N)NO)nc3)cc(C(=O)O)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.47
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
GAA P10253 6/20 0.36
HPGD P15428 4/20 0.36
GLA P06280 4/20 0.36
CASP1 P29466 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP7 P55210 2/20 0.36
FFAR4 Q5NUL3 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
P2RY14 Q15391 1/20 0.32
RXRA P19793 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P4HTM Q9NXG6 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
SCHEMBL644165 0.90 GCK (0.49) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL2643968 0.86 GCK (0.42) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL644420 0.84 GCK (0.48) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL643888 0.83 GCK (0.62) GCK
SCHEMBL2644068 0.83 GCK (0.50) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL2645282 0.83 GCK (0.52) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL2643306 0.81 GCK (0.41) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL2645732 0.81 GCK (0.43) GCKALDH1A1FFAR4
SCHEMBL2644137 0.81 GCK (0.44) GCKKDM4EALDH1A1GAAHPGD
SCHEMBL2644082 0.81 GCK (0.53) GCKKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2594132-A1 Stabilisation of iodine containing compounds with polymers containing nitrogen Lanxess Deutschland GmbH (DE) 2013-05-22 EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-2462805-A1 Formulations containing stabilised compounds containing iodine LANXESS Deutschland GmbH (DE) 2012-06-13 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 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-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 GCK 1/4885KDM4E 1790/4885ALDH1A1 1370/4885

“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.