SCHEMBL2644073

SCHEMBL2644073

CC1(C)CCc2c(cc(OCc3ccccc3Cl)cc2C(=O)O)O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SCN9A Q15858 4/20 0.45
MEN1 O00255 1/20 0.43
SLC26A4 O43511 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR5 Q9H228 2/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
SCN5A Q14524 1/20 0.40
GCK P35557 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ALKBH1 Q13686 1/20 0.37
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37

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
SCHEMBL642817 0.90 SCN9A (0.46) NR4A2NPC1RAB9ASCN9AMEN1
SCHEMBL2644863 0.82 NPC1 (0.46) NR4A2NPC1RAB9AMEN1SLC26A4
SCHEMBL643667 0.82 GCK (0.45) NPC1RAB9ASCN9AKMT2ATP53
SCHEMBL645041 0.77 HDAC8 (0.47) NR4A2NPC1RAB9ASCN9AMEN1
SCHEMBL16387302 0.71 SCN9A (0.74) SCN9ASCN5A
SCHEMBL12998988 0.71 NR4A2 (0.67) NR4A2NPC1RAB9AMEN1SLC26A4
SCHEMBL12998991 0.70 NR4A2 (0.62) NR4A2NPC1RAB9AMEN1SLC26A4
SCHEMBL643713 0.70 GCK (0.46) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL1263196 0.68 NR4A2 (0.78) NR4A2NPC1RAB9AMEN1SLC26A4
SCHEMBL10396448 0.68 NR4A2 (0.66) NR4A2NPC1RAB9AMEN1SLC26A4

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 7 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-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 NR4A2 2242/4885NPC1 1969/4885RAB9A 2949/4885

“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.