SCHEMBL12604608

SCHEMBL12604608

CC(=O)c1cc(C)cc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ TLR4 O00206 1/20 0.47
▸ TLR2 O60603 1/20 0.47
▸ MAOB P27338 3/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43

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
SCHEMBL23052979 0.89 AKR1C3 (0.58) AKR1C3MAPTHPGDRAB9ATLR4
SCHEMBL10001500 0.88 MAPT (0.57) MAPTHPGDRAB9AMAOBHTT
SCHEMBL12604606 0.82 MMP13 (0.57) AKR1C3MAPTHPGDRAB9AHDAC8
SCHEMBL3439666 0.80 MAPT (0.61) MAPTHPGDRAB9AMAOBMEN1
SCHEMBL14017418 0.80 MAPT (0.61) MAPTHPGDRAB9AMAOBHTT
SCHEMBL2350424 0.80 AKR1C3 (0.72) AKR1C3MAPTHPGDRAB9ATLR4
SCHEMBL2672668 0.79 ALDH1A1 (0.64) MAPTHPGDRAB9AMAOBHTT
SCHEMBL26309952 0.79 LTA4H (0.60) MAPTRAB9AMAOBHTTMEN1
SCHEMBL10001499 0.78 MAPT (0.53) AKR1C3MAPTHPGDRAB9AMAOB
SCHEMBL9967900 0.78 MAOB (0.68) MAOBHTTMEN1KMT2ASMN1; SMN2

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-7943607-B2 Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes ASTRAZENECA AB (SE) 2011-05-17 — — US disclosed
US-20110034432-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATING AGENTS ASTRAZENECA AB (SE) 2011-02-10 — — US disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 — — US disclosed
US-20100160286-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVES FOR THE TREATMENT OF DIABETES ASTRAZENECA UK LIMITED AB (SE) 2010-06-24 — — US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 — — US disclosed
US-20090105214-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-04-23 — — US disclosed
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 — — US disclosed
US-20080280872-A1 Benzamide Derivatives and Their Use as Glucokinase Activating Agents ASTRAZENECA AB (SE) 2008-11-13 — — US disclosed
US-20080280874-A1 Phenoxy Benzamide Compounds with Utility in the Treatment of Type 2 Diabetes and Obesity ASTRAZENECA AB (SE) 2008-11-13 — — US disclosed
US-20080234273-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-09-25 — — US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 — — US disclosed
US-20070287693-A1 Benzamide Derivatives That Act Upon The Glucokinase Enzyme ASTRAZENECA AB (SE) 2007-12-13 — — 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 (10 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-20090105214-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GCK, GCKR, GK AKR1C3 560/4885MAPT 4875/4885HPGD 254/4885
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 AKR1C3 1210/4885MAPT 4885/4885HPGD 595/4885
US-20080312207-A1 Compounds GRK4, PTGER4, GRK5 AKR1C3 1578/4885MAPT 4884/4885HPGD 366/4885
US-20070287693-A1 Benzamide Derivatives That Act Upon The Glucokinase Enzyme GCK, GCKR, GRK4 AKR1C3 1329/4885MAPT 4883/4885HPGD 735/4885
US-20110034432-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATING AGENTS GCK, GCKR, GRK4 AKR1C3 1598/4885MAPT 4882/4885HPGD 899/4885
US-20080280872-A1 Benzamide Derivatives and Their Use as Glucokinase Activating Agents GCK, GCKR, GRK4 AKR1C3 1598/4885MAPT 4882/4885HPGD 899/4885
US-20080280874-A1 Phenoxy Benzamide Compounds with Utility in the Treatment of Type 2 Diabetes and Obesity GRK4, PTGER4, GPR119 AKR1C3 1484/4885MAPT 4883/4885HPGD 799/4885
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 AKR1C3 1483/4885MAPT 4885/4885HPGD 668/4885
US-20100160286-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVES FOR THE TREATMENT OF DIABETES GCK, GCKR, HK1 AKR1C3 261/4885MAPT 4880/4885HPGD 522/4885
US-20080234273-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GCK, GCKR, HK1 AKR1C3 482/4885MAPT 4881/4885HPGD 398/4885

“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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