Sugi Predict

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SCHEMBL644796

SCHEMBL644796

COC(=O)c1cc(Oc2cnc(C(=O)N3CC(F)C3)c(F)c2)c2c(c1)OC(C)(C)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 9/20 0.45
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LRRK2 Q5S007 4/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL645701 0.92 GCK (0.44) GCKRAB9ANPC1ALDH1A1PDE4B
SCHEMBL2663829 0.87 GCK (0.39) GCKRAB9ANPC1ALDH1A1LMNA
SCHEMBL644053 0.85 GCK (0.66) GCK
SCHEMBL2643740 0.81 GCK (0.54) GCKNPC1ALDH1A1PDE4BFFAR4
SCHEMBL2645732 0.77 GCK (0.43) GCKRAB9ANPC1ALDH1A1FFAR4
SCHEMBL644481 0.76 GCK (0.51) GCKRAB9ANPC1ALDH1A1LMNA
SCHEMBL643605 0.76 GCK (0.67) GCK
SCHEMBL643595 0.75 GCK (0.40) GCKRAB9AALDH1A1LMNAMAPT
SCHEMBL644094 0.75 GCK (0.79) GCK
SCHEMBL643906 0.75 GCK (0.43) GCKRAB9ALMNAMAPTTSHR

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 12 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-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 — — US 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 — — 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-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 — — 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
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 — — 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 1/4885RAB9A 2949/4885NPC1 1969/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 GCK 1/4885RAB9A 2949/4885NPC1 1969/4885

“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.