SCHEMBL2664524

SCHEMBL2664524

CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.73
▸ RAB9A P51151 7/20 0.65
▸ KMT2A Q03164 7/20 0.65
▸ NPC1 O15118 6/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ HTT P42858 3/20 0.65
▸ RARA P10276 1/20 0.57
▸ RARB P10826 1/20 0.57
▸ RARG P13631 1/20 0.57
▸ GCK P35557 1/20 0.57
▸ ALOX5 P09917 1/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ MITF O75030 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ EP300 Q09472 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ LMNA P02545 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CRHBP P24387 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
SCHEMBL9071431 0.91 MAPT (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL1796076 0.86 GCK (0.71) MAPTRAB9ANPC1HTTRARA
SCHEMBL13870167 0.84 GCK (0.74) MAPTRAB9AKMT2ANPC1RARA
SCHEMBL2664764 0.78 RARA (0.55) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL2664877 0.75 GCK (0.74) RAB9ANPC1RARARARBRARG
SCHEMBL13703970 0.74 GCK (0.70) RAB9ANPC1RARARARBRARG
SCHEMBL4112213 0.74 MEN1 (0.80) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL2664878 0.73 GCK (0.70) RARARARBRARGGCK
SCHEMBL2664638 0.72 GCK (0.64) RARARARBRARGGCK
SCHEMBL1796433 0.72 GCK (0.77) RARARARBRARGGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 — — US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 — — US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
EP-1987831-A1 COMPOUNDS EFFECTING GLUCOKINASE AstraZeneca AB (SE) 2008-11-05 — — EP disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 — — 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-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 MAPT 4022/4885RAB9A 3175/4885KMT2A 1974/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 MAPT 4022/4885RAB9A 3175/4885KMT2A 1974/4885

“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.

Send feedback