SCHEMBL2643790

SCHEMBL2643790

CC1(C)Cc2c(OCc3nc(-c4ccccn4)no3)cc(C(=O)O)cc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 17/20 0.50
SMN1; SMN2 Q16637 16/20 0.50
RAB9A P51151 16/20 0.50
TP53 P04637 6/20 0.50
MAPT P10636 6/20 0.50
TSHR P16473 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
HTT P42858 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL644578 0.84 GCK (0.51) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL2643969 0.83 GSTP1 (0.41) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL2644593 0.80 KDM4E (0.32) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL643590 0.78 MAOB (0.49) NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2643648 0.78 KDM5A (0.41) MAPTHTTHSD17B10ALDH1A1HPGD
SCHEMBL8890246 0.77 POLB (0.61) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL2645105 0.75 SMPD1 (0.35) HTTHSD17B10ALDH1A1HPGDGAA
SCHEMBL2644888 0.73 GCGR (0.36) HTTHSD17B10ALDH1A1HPGDGAA
SCHEMBL2644675 0.72 KMO (0.41)
SCHEMBL2643933 0.72 TSHR (0.43) SMN1; SMN2TSHRHTTHSD17B10ALDH1A1

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 NPC1 1969/4885SMN1; SMN2 2653/4885RAB9A 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.