SCHEMBL1767679

SCHEMBL1767679

Clc1ccc(Br)cc1COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
NR4A2 P43354 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DDR1 Q08345 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
MAOA P21397 1/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER1 P34995 1/20 0.40
CCR5 P51681 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1010163 0.81 MAOB (0.51) MAOBLMNACCR5
SCHEMBL29816877 0.81 MAOB (0.51) MAOBLMNACCR5
SCHEMBL12577954 0.80 ALDH1A1 (0.45) MAOBNR4A2RAB9ASMN1; SMN2LMNA
SCHEMBL16016189 0.79 FFAR1 (0.48) MAOBNR4A2RAB9ANPC1SMN1; SMN2
SCHEMBL6346727 0.78 TSHR (0.50) MAOBRAB9ASMN1; SMN2LMNANPSR1
SCHEMBL9812484 0.77 NR4A2 (0.69) MAOBNR4A2RAB9ANPC1LMNA
SCHEMBL28034244 0.77 SLC6A4 (0.41) SMN1; SMN2LMNANPSR1SLC6A4HTR6
SCHEMBL1746557 0.77 FFAR1 (0.67)
SCHEMBL14966760 0.76 MAOB (0.49) MAOBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL8102862 0.76 NPC1 (0.56) MAOBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755722-B1 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD (IN) 2017-05-24 EP disclosed
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 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-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-9018249-B2 SGLT inhibitors PANACEA BIOTEC LIMITED (IN) 2015-04-28 US disclosed
US-20150065513-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20150065565-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20140378540-A1 NOVEL SGLT INHIBITORS PANACEA BIOTEC PHARMA LIMITED (IN) 2014-12-25 US disclosed
EP-2496583-B1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2014-12-10 EP disclosed
US-20090318547-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-24 US disclosed
EP-2074130-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
EP-1928852-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-06-11 EP disclosed
WO-2008034859-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
WO-2008034859-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
WO-2007031548-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-22 WO disclosed
WO-2007031548-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-22 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 (6 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-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 MAOB 1639/4885NR4A2 455/4885RAB9A 3289/4885
US-20150065565-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 MAOB 1639/4885NR4A2 455/4885RAB9A 3289/4885
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof UGGT1, B3GAT3, UGCG MAOB 392/4885NR4A2 1655/4885RAB9A 2035/4885
US-20150065513-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 MAOB 1639/4885NR4A2 455/4885RAB9A 3289/4885
US-20090318547-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, SLC5A2, SLC5A1 MAOB 409/4885NR4A2 2072/4885RAB9A 4446/4885
US-20140378540-A1 NOVEL SGLT INHIBITORS SLC5A1, SLC5A2, SLC2A1 MAOB 1900/4885NR4A2 2371/4885RAB9A 2327/4885

“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.