SCHEMBL1250657

SCHEMBL1250657

CCc1ccc(C(=O)c2cc(Br)c(OC)cc2NC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 4/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 4/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 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
SCHEMBL4965496 0.89 ALDH1A1 (0.45) ALDH1A1MAPTHPGDCYP2C19HTT
SCHEMBL4966881 0.87 MAPT (0.43) ALDH1A1MAPTHPGDCYP2C19HTT
SCHEMBL4966690 0.86 NPC1 (0.52) ALDH1A1MAPTHPGDHTTCYP2C9
SCHEMBL4969129 0.84 PDE5A (0.41) ALDH1A1MAPTHPGDCYP2C19HTT
SCHEMBL1252277 0.83 GABRA1 (0.44) ALDH1A1MAPTHPGDCYP2C9NPSR1
SCHEMBL4966867 0.81 ALDH1A1 (0.54) ALDH1A1MAPTHPGDCYP2C19CYP2C9
SCHEMBL4967119 0.81 MAPT (0.43) ALDH1A1MAPTHPGDCYP2C19HTT
SCHEMBL3678183 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDCYP2C19HTT
SCHEMBL4966013 0.80 PDE4D (0.43) ALDH1A1MAPTHPGDCYP2C19HTT
SCHEMBL4968239 0.80 PDE4D (0.43) ALDH1A1MAPTHPGDCYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879806-B2 1-chloro-4-( beta -D-glucopyranos-1-yl)-2-[4-((1R,2R)-2-hydroxy-cyclopent-1-yloxy)-benzyl]-benzene; metabolic disorders such as diabetes, metabolic acidosis or ketosis, reactive hypoglycaemia, hyperinsulinaemia; sodium-dependent glucose cotransporter SGLT2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879806-B2 1-chloro-4-( beta -D-glucopyranos-1-yl)-2-[4-((1R,2R)-2-hydroxy-cyclopent-1-yloxy)-benzyl]-benzene; metabolic disorders such as diabetes, metabolic acidosis or ketosis, reactive hypoglycaemia, hyperinsulinaemia; sodium-dependent glucose cotransporter SGLT2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879806-B2 1-chloro-4-( beta -D-glucopyranos-1-yl)-2-[4-((1R,2R)-2-hydroxy-cyclopent-1-yloxy)-benzyl]-benzene; metabolic disorders such as diabetes, metabolic acidosis or ketosis, reactive hypoglycaemia, hyperinsulinaemia; sodium-dependent glucose cotransporter SGLT2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
EP-2079753-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008055870-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO disclosed
WO-2008055870-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 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-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, SLC5A1, SLC5A2 ALDH1A1 372/4885MAPT 392/4885HPGD 1373/4885

“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.