SCHEMBL3764481

SCHEMBL3764481

COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.70
HTT P42858 3/20 0.70
NPSR1 Q6W5P4 3/20 0.70
GAA P10253 1/20 0.70
MAPT P10636 5/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
PAX8 Q06710 3/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 3/20 0.55
NPC1 O15118 3/20 0.53
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
HSP90AA1 P07900 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL11850324 0.86 MAPK1 (0.70) MAPK1HTTNPSR1GAAMAPT
SCHEMBL7780381 0.86 NPSR1 (0.70) MAPK1HTTNPSR1GAAMAPT
SCHEMBL10727439 0.85 MAPK1 (0.81) MAPK1HTTNPSR1GAAMAPT
SCHEMBL7787599 0.85 MAPK1 (0.68) MAPK1HTTNPSR1GAAMAPT
SCHEMBL2441231 0.82 LMNA (0.59) MAPK1HTTGAAMAPTLMNA
SCHEMBL6846139 0.82 MAPK1 (1.00) MAPK1HTTNPSR1GAAMAPT
SCHEMBL4689851 0.82 MAPK1 (0.67) MAPK1HTTNPSR1GAAMAPT
SCHEMBL9438362 0.80 ALDH1A1 (0.65) MAPK1HTTGAAMAPTLMNA
SCHEMBL9726394 0.79 MAPT (0.58) MAPK1HTTNPSR1GAAMAPT
SCHEMBL5418857 0.78 LMNA (0.98) MAPK1HTTGAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283326-B2 Crystalline form of 4-(beta-D-glucopyranos-1-yl)-1-methyl-2-[4-((S)-tetrahydrofuran-3-yloxy)-benzyl]-benzene, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-09 US disclosed
US-8283326-B2 Crystalline form of 4-(beta-D-glucopyranos-1-yl)-1-methyl-2-[4-((S)-tetrahydrofuran-3-yloxy)-benzyl]-benzene, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-09 US disclosed
US-8283326-B2 Crystalline form of 4-(beta-D-glucopyranos-1-yl)-1-methyl-2-[4-((S)-tetrahydrofuran-3-yloxy)-benzyl]-benzene, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-09 US disclosed
US-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2086991-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP disclosed
WO-2008049923-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
WO-2008049923-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 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 (1 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-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS MGAT3, GANAB, MGAT2 MAPK1 1920/4885HTT 2582/4885NPSR1 3432/4885

“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.