SCHEMBL4594430

SCHEMBL4594430

CC(C)[Si](C#Cc1ccc(B(O)O)cc1)(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.44
CA2 P00918 5/20 0.39
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
CA1 P00915 4/20 0.35
TSHR P16473 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1C Q13936 1/20 0.33
MGLL Q99685 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2865494 0.92 ENPP2 (0.38) ENPP2CA2LPLLIPGCA1
SCHEMBL30283030 0.79 APP (0.44) CA2CA1CACNA2D1CACNB2CACNA1C
SCHEMBL2447287 0.79 ENPP2 (0.48) ENPP2CA2LPLLIPGCA1
SCHEMBL2866955 0.77 CA1 (0.32) CA2LPLLIPGCA1TSHR
SCHEMBL28247328 0.76 GRM5 (0.45) CA2CA1CACNA2D1CACNB2CACNA1C
SCHEMBL2870367 0.76 PTGES (0.32) CA2CA1TSHR
SCHEMBL27034887 0.76 CACNA2D1 (0.41) CACNA2D1CACNB2CACNA1C
SCHEMBL2865496 0.75
SCHEMBL806832 0.75 ENPP2 (0.64) ENPP2CA2LPLLIPGCA1
SCHEMBL806833 0.75 ENPP2 (0.64) ENPP2CA2LPLLIPGCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1928852-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-06-11 EP disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
WO-2007031548-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-22 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-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof UGGT1, B3GAT3, UGCG ENPP2 2127/4885CA2 4181/4885LPL 2524/4885

“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.