SCHEMBL1793221

SCHEMBL1793221

CC(C)Oc1cc(OC(C)(C)C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ PPARA Q07869 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ FABP2 P12104 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ GCK P35557 9/20 0.39
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ PTPN7 P35236 1/20 0.37
▸ DUSP3 P51452 1/20 0.37

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
SCHEMBL2666313 0.89 PPARA (0.41) KMT2ARXRARXRBPPARAALDH1A1
SCHEMBL15445136 0.88 PPARA (0.52) KMT2APPARAALDH1A1MEN1CYP1A2
SCHEMBL14190690 0.87 PPARA (0.40) KMT2ARXRARXRBPPARAALDH1A1
SCHEMBL13678485 0.85 KMT2A (0.47) KMT2ARXRARXRBALDH1A1MEN1
SCHEMBL151012 0.85 KMT2A (0.64) KMT2ARXRARXRBALDH1A1MEN1
SCHEMBL2563350 0.83 KMT2A (0.50) KMT2ARXRARXRBALDH1A1GCK
SCHEMBL14190862 0.82 PPARG (0.56) KMT2APPARAALDH1A1MEN1CYP1A2
SCHEMBL13870168 0.82 KMT2A (0.46) KMT2ARXRARXRBALDH1A1MEN1
SCHEMBL17060010 0.81 KMT2A (0.64) KMT2ARXRARXRBALDH1A1MEN1
SCHEMBL2657806 0.78 KMT2A (0.56) KMT2ARXRARXRBALDH1A1MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097385-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck & Co., Inc. (US) 2009-09-09 — — EP claimed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 — — WO claimed
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 — — US disclosed
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 — — US disclosed
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-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 — — US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 — — US disclosed
EP-1529530-B3 Compounds affecting glucokinase ASTRAZENECA AB (SE) 2009-09-02 — — EP disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 — — US 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
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
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
EP-1661569-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2008-06-11 — — EP disclosed
EP-1568367-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2007-04-18 — — EP disclosed
US-20050080106-A1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2005-04-14 — — US disclosed
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 — — 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 (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-20050080106-A1 Compounds effecting glucokinase GCKR, GCK, SLC5A2 KMT2A 1974/4885RXRA 3686/4885RXRB 3646/4885
US-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 KMT2A 1974/4885RXRA 3686/4885RXRB 3646/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 KMT2A 1974/4885RXRA 3686/4885RXRB 3646/4885

“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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