SCHEMBL1714508

SCHEMBL1714508

Cc1ccc(S(=O)(=O)O)cc1[C@H]1CCOC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL2486113 1.00 TSHR (0.35) TSHRCA12CA1CA2CA7
SCHEMBL1714160 1.00 TSHR (0.35) TSHRCA12CA1CA2CA7
SCHEMBL29104732 0.83 CA1 (0.41) TSHRCA12CA1CA2CA7
SCHEMBL8763566 0.80 ALDH1A1 (0.43) CA12CA1CA2CA7CA14
SCHEMBL778058 0.79 CA1 (0.36) TSHRCA12CA1CA2CA7
SCHEMBL656155 0.79 PTGS2 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL20522658 0.79 USP2 (0.35) TSHRCA12CA1CA2CA7
SCHEMBL16461465 0.78 KMT2A (0.38) TSHRCA12CA1CA2CA7
SCHEMBL27432349 0.76 CA1 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL8089603 0.75 MEN1 (0.38) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021250565-A1 AN IMPROVED PROCESS FOR PREPARATION OF EMPAGLIFLOZIN AND ITS CRYSTALLINE POLYMORPH HIKAL LIMITED (IN) 2021-12-16 WO disclosed
US-20110178033-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
EP-1989191-B1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2011-07-20 EP disclosed
US-7776830-B2 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-17 US disclosed
US-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US 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-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 TSHR 1785/4885CA12 3690/4885CA1 4542/4885
US-20070259821-A1 Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture UGGT1, UGT1A4, SLC5A1 TSHR 3803/4885CA12 3253/4885CA1 4184/4885
US-20110178033-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, G6PC1 TSHR 2151/4885CA12 3688/4885CA1 4575/4885

“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.