SCHEMBL6172615

SCHEMBL6172615

COC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMURF1 Q9HCE7 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ APP P05067 1/20 0.33
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ PTGES O14684 2/20 0.32
▸ LDHA P00338 2/20 0.32
▸ LDHB P07195 2/20 0.32
▸ RBP4 P02753 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CCR3 P51677 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
SCHEMBL6175374 0.90 AKR1C3 (0.38) SMURF1SCN9ANOTUMKCNH2APP
SCHEMBL6174517 0.88 KCNH2 (0.39) KCNH2MDM4MDM2LDHALDHB
SCHEMBL6175104 0.86 KCNH2 (0.34) SMURF1SCN9ANOTUMLRRK2KCNH2
SCHEMBL2658681 0.86 SLC6A3 (0.40) KCNH2MDM4MDM2GCK
SCHEMBL6175163 0.85 SLC6A3 (0.41) SMURF1KCNH2MDM4MDM2GCK
SCHEMBL6172662 0.82 KCNH2 (0.56) KCNH2GCK
SCHEMBL6173445 0.82 KCNH2 (0.43) KCNH2MDM4MDM2GCK
SCHEMBL2658873 0.81 GCK (0.42) KCNH2GCK
SCHEMBL6173291 0.80 SLC6A3 (0.39) SMURF1KCNH2APPMDM4MDM2
SCHEMBL7613373 0.78 KCNH2 (0.52) KCNH2GCK

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-1311504-B1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 — — EP disclosed
US-6441180-B1 TO INCREASE INSULIN SECRETION, WHICH MAKES THEM USEFUL FOR TREATING TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-08-27 — — US disclosed
US-20020065275-A1 Tetrazolyl-phenyl actamide glucokinase activators SIDDURI ACHYUTHARAO (US) 2002-05-30 — — US disclosed
US-6388088-B1 ANTIDIABETIC AGENTS HOFFMAN-LA ROCHE INC. 2002-05-14 — — US disclosed
US-6369232-B1 ANTIDIABETIC AGENTS HOFFMANN-LA ROCHE INC. 2002-04-09 — — US disclosed
US-20020035267-A1 Tetrazolyl-phenyl acetamide glucokinase activators SIDDURI ACHYUTHARAO (US) 2002-03-21 — — US disclosed
US-20020035266-A1 Tetrazolyl-phenyl acetamide glucokinase activators SIDDURI ACHYUTHARAO (US) 2002-03-21 — — 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 (3 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-20020035267-A1 Tetrazolyl-phenyl acetamide glucokinase activators GCKR, GCK, PCK1 SMURF1 4717/4885SCN9A 3237/4885NOTUM 1489/4885
US-20020035266-A1 Tetrazolyl-phenyl acetamide glucokinase activators GCKR, GCK, PCK1 SMURF1 4717/4885SCN9A 3237/4885NOTUM 1489/4885
US-20020065275-A1 Tetrazolyl-phenyl actamide glucokinase activators GCKR, GCK, PFKL SMURF1 4519/4885SCN9A 2804/4885NOTUM 1459/4885

“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.

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