SCHEMBL180904

SCHEMBL180904

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.69
GAA P10253 5/20 0.69
MAPT P10636 5/20 0.69
POLB P06746 4/20 0.69
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
ALPI P09923 2/20 0.69
P4HB P07237 6/20 0.66
AKR1B1 P15121 5/20 0.66
EPHX2 P34913 5/20 0.66
MAOA P21397 4/20 0.66
XDH P47989 4/20 0.66
SLCO2B1 O94956 3/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
PIM2 Q9P1W9 2/20 0.66
CA12 O43570 2/20 0.66
CA2 P00918 2/20 0.66
CA4 P22748 2/20 0.66
CA7 P43166 2/20 0.66
ADRA2C P18825 2/20 0.64

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
SCHEMBL5462797 0.90 KDM4E (0.67) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL7601750 0.88 KDM4E (0.73) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL17938818 0.88 KDM4E (0.73) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL2510346 0.88 KDM4E (0.73) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL2007120 0.85 NQO2 (0.65) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL21408655 0.83 AKR1B1 (0.74) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL30772268 0.83 AKR1B1 (0.74) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL24608 0.83 AKR1B1 (0.74) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL181120 0.83 KDM4E (0.65) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL25414144 0.83 P4HB (0.83) KDM4EGAAMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297692-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2020-09-24 US disclosed
US-10709684-B2 SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease MERCK SHARP & DOHME CORP. (US) 2020-07-14 US disclosed
US-20200054598-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2020-02-20 US disclosed
US-10500186-B2 SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease MERCK SHARP & DOHME CORP. (US) 2019-12-10 US disclosed
US-20190142793-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10285973-B2 SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20170304262-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME LLC 2017-10-26 US disclosed
US-9439901-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-20110195138-A1 Anti-inflammatory cranberry flavonol extract preparations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2011-08-11 US disclosed
EP-2334687-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2011-06-22 EP disclosed
WO-2010023594-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2010-03-04 WO disclosed
US-20100056618-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC 2010-03-04 US disclosed
US-20070292539-A1 Anti-inflammatory cranberry flavonol extract preparations VORSA NICHOLI 2007-12-20 US disclosed
US-20070292539-A1 Anti-inflammatory cranberry flavonol extract preparations VORSA NICHOLI 2007-12-20 US disclosed
US-7270837-B2 free of anthocyanins and proanthocyanidins; treatment of inflammatory disorders, particularly irritation of the urinary tract due to both bacterial and non-bacterial causes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-09-18 US disclosed
US-7270837-B2 free of anthocyanins and proanthocyanidins; treatment of inflammatory disorders, particularly irritation of the urinary tract due to both bacterial and non-bacterial causes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-09-18 US disclosed
US-20060088610-A1 Anti-inflammatory cranberry flavonol extract preparations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2006-04-27 US disclosed
US-20060088610-A1 Anti-inflammatory cranberry flavonol extract preparations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2006-04-27 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 (11 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-20100056618-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 KDM4E 3890/4885GAA 1122/4885MAPT 738/4885
US-10285973-B2 SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease SLC5A1, SLC5A2, SLC2A1 KDM4E 1229/4885GAA 763/4885MAPT 75/4885
US-10500186-B2 SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease SLC5A1, SLC5A2, SLC2A1 KDM4E 1229/4885GAA 763/4885MAPT 75/4885
US-20200297692-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE SLC5A1, SLC5A2, SLC2A1 KDM4E 1229/4885GAA 763/4885MAPT 75/4885
US-20070292539-A1 Anti-inflammatory cranberry flavonol extract preparations LGALS3, FUT6, GALNT6 KDM4E 714/4885GAA 282/4885MAPT 2559/4885
US-20200054598-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE SLC5A1, SLC5A2, SLC2A1 KDM4E 1229/4885GAA 763/4885MAPT 75/4885
US-20060088610-A1 Anti-inflammatory cranberry flavonol extract preparations LGALS3, FUT6, GALNT6 KDM4E 714/4885GAA 282/4885MAPT 2559/4885
US-10709684-B2 SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease SLC5A1, SLC5A2, SLC2A1 KDM4E 1229/4885GAA 763/4885MAPT 75/4885
US-20170304262-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE SLC5A1, SLC5A2, SLC2A1 KDM4E 1229/4885GAA 763/4885MAPT 75/4885
US-20110195138-A1 Anti-inflammatory cranberry flavonol extract preparations LGALS3, FUT6, GALNT6 KDM4E 714/4885GAA 282/4885MAPT 2559/4885
US-20190142793-A1 SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS WITH RENAL IMPAIRMENT OR CHRONIC KIDNEY DISEASE SLC5A1, SLC5A2, SLC2A1 KDM4E 1227/4885GAA 710/4885MAPT 77/4885

“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.