Toluene

Toluene

SCHEMBL1660903

C=CCOC(C)=O.Cc1ccccc1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
POLB P06746 1/20 0.42
ALOX12 P18054 2/20 0.40
RHOA P61586 1/20 0.40
ACHE P22303 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
Biphenyl SCHEMBL27609023 0.87 CYP3A4 (0.55) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Benzene SCHEMBL28238137 0.87 CYP3A4 (0.50) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Styrene SCHEMBL27482384 0.84 CYP3A4 (0.51) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Toluene SCHEMBL1852909 0.84 CYP3A4 (0.51) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Toluene SCHEMBL11320582 0.84 CYP3A4 (0.51) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Toluene SCHEMBL11320560 0.84 CYP3A4 (0.51) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Toluene SCHEMBL27819537 0.83 NPSR1 (0.49) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
SCHEMBL23581251 0.83 CYP3A4 (0.50) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Toluene SCHEMBL1179811 0.83 CYP3A4 (0.80) CYP3A4ALDH1A1NPSR1TSHRHSD17B10
Toluene SCHEMBL28838013 0.81 PKM (0.52) CYP3A4ALDH1A1NPSR1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069374-B2 CRYSTALLINE SOLVATES OF (1S)-1,5-ANHYDRO-1-C-(3-((PHENYL) METHYL) PHENYL)-D-GLUCITOL DERIVATIVES WITH ALCOHOLS AS SGLT2 INHIBITORS FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2021-07-28 EP disclosed
EP-3363807-B1 PHARMACEUTICAL COMPOSITION COMPRISING CRYSTALLINE (2S,3R,4S,5S,6R)-2-[4-CHLORO-3-(4-ETHOXY-BENZYL)-PHENYL]-6-HYDROXYMETHYL-2-METHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL (S)-PROPYLENE GLYCOL SOLVATE ASTRAZENECA AB (SE) 2019-11-13 EP disclosed
EP-3363807-A1 PHARMACEUTICAL COMPOSITION COMPRISING CRYSTALLINE (2S,3R,4S,5S,6R)-2-[4-CHLORO-3-(4-ETHOXY-BENZYL)-PHENYL]-6-HYDROXYMETHYL-2-METHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL (S)-PROPYLENE GLYCOL SOLVATE AstraZeneca AB (SE) 2018-08-22 EP disclosed
EP-3045466-B1 (2S,3R,4S,5S,6R)-2-[4-CHLORO-3-(4-ETHOXY-BENZYL)-PHENYL]-6-HYDROXYMETHYL-2-METHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL PROPYLENE GLYCOL SOLVATE AS SGT2 INHIBITOR FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2017-12-06 EP disclosed
US-9453039-B2 Crystal structures of SGLT2 inhibitors and processes for preparing same ASTRAZENECA AB (SE) 2016-09-27 US disclosed
EP-3045466-A1 (2S,3R,4S,5S,6R)-2-[4-CHLORO-3-(4-ETHOXY-BENZYL)-PHENYL]-6-HYDROXYMETHYL-2-METHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL PROPYLENE GLYCOL SOLVATE AS SGT2 INHIBITOR FOR THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2016-07-20 EP disclosed
CN-103319445-B Crystalline structure of SGLT2 inhibitor and preparation method thereof ASTRAZENECA AB (SE) 2016-01-20 CN disclosed
CN-103145773-B Crystalline solvates and complexes of (IS) -1, 5-anhydro-L-C- (3- ( (phenyl) methyl) phenyl) -D-glucitol derivatives with amino acids as SGLT2 inhibitors for the treatment of diabetes ASTRAZENECA AB 2015-07-22 CN disclosed
US-9051399-B2 Method for producing polar group-containing olefin copolymers SHOWA DENKO K.K. (JP) 2015-06-09 US disclosed
CN-104387354-A Crystal structures and preparation methods of SGLT2 inhibitors ASTRAZENECA AB 2015-03-04 CN disclosed
EP-2457918-A2 Crystalline solvates and complexes of (1s)-1,5-anhydro-1-c-(3-((phenyl) methyl) phenyl)-d-glucitol derivatives with amino acids as SGLT2 inhibitors for the treatment of diabetes Bristol-Myers Squibb Company (US) 2012-05-30 EP disclosed
US-20110172176-A1 CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-14 US disclosed
US-7919598-B2 Crystal structures of SGLT2 inhibitors and processes for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-05 US disclosed
CN-101479287-A Crystalline solvates and complexes of (1S) -1, 5-anhydro-L-C- (3- ((phenyl) methyl) phenyl) -D-glucitol derivatives with amino acids as SGLT2 inhibitors for the treatment of diabetes BRISTOL MYERS SQUIBB CO (US) 2009-07-08 CN disclosed
CN-101468976-A Crystal structure of SGLT2 inhibitor and preparation method thereof BRISTOL MYERS SQUIBB CO (US) 2009-07-01 CN disclosed
EP-2069374-A1 CRYSTALLINE SOLVATES AND COMPLEXES OF (IS) -1, 5-ANHYDRO-L-C- (3- ( (PHENYL) METHYL) PHENYL) -D-GLUCITOL DERIVATIVES WITH AMINO ACIDS AS SGLT2 INHIBITORS FOR THE TREATMENT OF DIABETES Brystol-Myers Squibb Company (US) 2009-06-17 EP disclosed
WO-2008002824-A1 CRYSTALLINE SOLVATES AND COMPLEXES OF (IS) -1, 5-ANHYDRO-L-C- (3- ( (PHENYL) METHYL) PHENYL) -D-GLUCITOL DERIVATIVES WITH AMINO ACIDS AS SGLT2 INHIBITORS FOR THE TREATMENT OF DIABETES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-03 WO disclosed
US-20080004336-A1 CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
EP-1345935-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS Warner-Lambert Company LLC (US) 2003-09-24 EP disclosed
WO-2002050070-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 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 (2 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-20110172176-A1 CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME SLC5A2, SLC5A1, GLP1R CYP3A4 445/4885ALDH1A1 735/4885NPSR1 1679/4885
US-20080004336-A1 CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME SLC5A2, SLC5A1, GLP1R CYP3A4 445/4885ALDH1A1 735/4885NPSR1 1679/4885

“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.