SCHEMBL2663576

SCHEMBL2663576

[C-]#[N+]c1ccc(Oc2cc(C(=O)OC)cc3c2CC(C)(C)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.42
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KMT2A Q03164 2/20 0.32
EIF4A1 P60842 1/20 0.32

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
SCHEMBL2663579 0.86 GCK (0.42) GCKNPSR1LMNAMAPTTSHR
SCHEMBL2663572 0.86 GCK (0.49) GCKNPSR1LMNAMAPTTSHR
SCHEMBL642344 0.84 GCK (0.41) GCKNPSR1LMNAMAPTTSHR
SCHEMBL643412 0.84 MAOB (0.41) GCKNPSR1LMNAMAPTTSHR
SCHEMBL643223 0.84 GCK (0.44) GCKNPSR1LMNAMAPTTSHR
SCHEMBL642328 0.82 GCK (0.40) GCKNPSR1LMNAMAPTTSHR
SCHEMBL645986 0.81 ALDH1A1 (0.41) GCKNPSR1LMNAMAPTTSHR
SCHEMBL643310 0.81 GCK (0.55) GCKNPSR1LMNAMAPTTSHR
SCHEMBL643906 0.81 GCK (0.43) GCKNPSR1LMNAMAPTTSHR
SCHEMBL2669382 0.81 GCK (0.39) GCKNPSR1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US 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 GCK 1/4885NPSR1 2441/4885LMNA 2969/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 GCK 1/4885NPSR1 2441/4885LMNA 2969/4885

“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.