SCHEMBL2643933

SCHEMBL2643933

CCOc1cc(C(=O)O)cc2c1CC(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
RXRA P19793 2/20 0.41
HNF4A P41235 2/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
GLA P06280 2/20 0.41
CASP7 P55210 1/20 0.41
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP6 P55212 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2644213 0.85 IRAK4 (0.39) RXRAALDH1A1GAAKDM4EHSD17B10
SCHEMBL643590 0.84 MAOB (0.49) RXRAHPGDSMN1; SMN2MRGPRX4
SCHEMBL2644532 0.83 ALDH1A1 (0.37) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL2643997 0.82 ALDH1A1 (0.38) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL2644471 0.81 KDM4E (0.35) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL2643330 0.79 KDM4E (0.39) TSHRALDH1A1GAAKDM4EHSD17B10
SCHEMBL2645105 0.78 SMPD1 (0.35) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL2643969 0.78 GSTP1 (0.41) TSHRALDH1A1GAAKDM4EHSD17B10
SCHEMBL2645442 0.78 PIK3CA (0.33) TSHRALDH1A1GAAKDM4EHSD17B10
SCHEMBL2644593 0.78 KDM4E (0.32) TSHRALDH1A1GAAKDM4EHSD17B10

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 TSHR 730/4885RXRA 2180/4885HNF4A 462/4885

“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.