SCHEMBL645686

SCHEMBL645686

C/C=C\c1c(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)OC)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
KMT2A Q03164 1/20 0.39
SCN9A Q15858 1/20 0.39
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
AKR1C3 P42330 1/20 0.36
GCK P35557 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A4 P31645 1/20 0.36
TCF4 P15884 1/20 0.36
CTNNB1 P35222 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL645687 1.00 PTGS2 (0.40) PTGS2KMT2ASCN9ACYP2C9KDM4E
SCHEMBL2664925 1.00 PTGS2 (0.40) PTGS2KMT2ASCN9ACYP2C9KDM4E
SCHEMBL645157 0.88 PTGS2 (0.42) PTGS2KMT2ASCN9ACYP2C9KDM4E
SCHEMBL10253689 0.87 TDP1 (0.43) KMT2ACYP2C9KDM4EUSP2TCF4
SCHEMBL643235 0.83 POLB (0.45) PTGS2SCN9AAKR1C3GCKKCNH2
SCHEMBL643234 0.83 POLB (0.45) PTGS2SCN9AAKR1C3GCKKCNH2
SCHEMBL2663793 0.81 USP2 (0.34) KMT2AKDM4ESMN1; SMN2HSD17B10USP2
SCHEMBL642566 0.79 PTGS2 (0.38) PTGS2KMT2ASCN9ACYP2C9KDM4E
SCHEMBL1107748 0.76 GCK (0.50) PTGS2CYP2C9USP2GCKKCNH2
SCHEMBL10253519 0.74 TDP1 (0.45) KMT2ACYP2C9KDM4EUSP2TCF4

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
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-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 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-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US 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 (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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 PTGS2 1108/4885KMT2A 1755/4885SCN9A 3707/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 PTGS2 1108/4885KMT2A 1755/4885SCN9A 3707/4885

“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.