Sugi Predict

Sugi Predict / Compounds / SCHEMBL180996

SCHEMBL180996

SCHEMBL180996

COc1ccc(Cc2cc(Br)ccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 4/20 0.46
▸ SLC5A2 P31639 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ FPR1 P21462 2/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL7471697 0.87 MEN1 (0.46) SLC5A1L3MBTL1MEN1KMT2ALTA4H
SCHEMBL18109 0.84 SLC5A2 (0.40) SLC5A1SLC5A2L3MBTL1MEN1KMT2A
SCHEMBL12923849 0.84 LTA4H (0.55) SLC5A1SLC5A2L3MBTL1LTA4HTDP1
SCHEMBL37829 0.84 SLC5A2 (0.51) SLC5A1SLC5A2LMNA
SCHEMBL3892695 0.83 TDP1 (0.48) L3MBTL1MEN1KMT2ALTA4HHTT
SCHEMBL16831217 0.83 MAOB (0.44) L3MBTL1MEN1KMT2AHTTTDP1
SCHEMBL29395207 0.83 MAOB (0.44) L3MBTL1MEN1KMT2AHTTTDP1
SCHEMBL1010022 0.82 ALDH1A1 (0.44) SLC5A1SLC5A2MEN1KMT2AMAPT
SCHEMBL181059 0.82 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ALTA4HHTT
SCHEMBL181109 0.82 SLC5A2 (0.50) SLC5A1SLC5A2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 — — EP disclosed
EP-2334687-B9 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-08-08 — — EP disclosed
EP-2334687-B1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-01-04 — — EP disclosed
US-8080580-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2011-12-20 — — US disclosed
EP-2334687-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2011-06-22 — — EP disclosed
CN-101998962-A Novel aromatic fluoroglycoside derivatives, medicaments containing said compounds and the use thereof SANOFI AVENTIS 2011-03-30 — — CN disclosed
US-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SANOFI-AVENTIS (FR) 2011-03-10 — — US disclosed
EP-2268653-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-01-05 — — EP disclosed
US-7847074-B2 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-07 — — US disclosed
US-7847074-B2 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-07 — — US disclosed
US-6936590-B2 C-aryl glucoside SGLT2 inhibitors and method BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 — — US disclosed
EP-1224195-B1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-05-18 — — EP disclosed
US-6774112-B2 ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
EP-1385856-A2 AMINO ACID COMPLEXES OF C-ARYL GLUCOSIDES FOR TREATMENT OF DIABETES AND METHOD Bristol-Myers Squibb Company (US) 2004-02-04 — — EP disclosed
US-20030114390-A1 C-aryl glucoside SGLT2 inhibitors and method ASTRAZENECA AB (SE) 2003-06-19 — — US disclosed
US-20030064935-A1 Amino acid complexes of C-aryl glucosides for treatment of diabetes and method ASTRAZENECA AB (SE) 2003-04-03 — — US disclosed
WO-2002083066-A2 AMINO ACID COMPLEXES OF C-ARYL GLUCOSIDES FOR TREATMENT OF DIABETES AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-24 — — WO disclosed
EP-1224195-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 — — EP disclosed
US-6414126-B1 ANTIDIABETIC, ANTIOBESITY, ANTILIPEMIC, ANTIATHEROSCLEROTIC, ANTICOAGULANT, AND HYPOTENSIVE AGENTS; MARKUSH ENCOMPASSING DAPAGLIFOZIN AND DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 — — US disclosed
WO-2001027128-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 — — 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-20030114390-A1 C-aryl glucoside SGLT2 inhibitors and method SLC5A2, SLC5A1, UGGT1 SLC5A1 2/4885SLC5A2 1/4885L3MBTL1 3794/4885
US-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SLC5A2, SLC5A1, SLC2A2 SLC5A1 2/4885SLC5A2 1/4885L3MBTL1 4780/4885
US-20030064935-A1 Amino acid complexes of C-aryl glucosides for treatment of diabetes and method SLC5A2, SLC5A1, OGFR SLC5A1 2/4885SLC5A2 1/4885L3MBTL1 2305/4885

“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.