SCHEMBL2874752

SCHEMBL2874752

C=CCC(CC=C)C(=O)C(=[N+]=[N-])P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
CPA1 P15085 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
SCHEMBL2110311 0.75 MMP1 (0.36)
SCHEMBL102146 0.70 MMP1 (0.33)
SCHEMBL9389633 0.68 GRIK1 (0.45) GRIK1GRIK2CPA1
SCHEMBL5129321 0.66
SCHEMBL2879353 0.64 GRIK1 (0.38) GRIK1GRIK2CPA1
SCHEMBL187536 0.64
SCHEMBL22591367 0.63 GRIK1 (0.41) GRIK1GRIK2CPA1
SCHEMBL848769 0.62 MMP2 (0.31)
SCHEMBL2989915 0.62 FOLH1 (0.36) GRIK1GRIK2CPA1
SCHEMBL5037125 0.61 MMP1 (0.33)

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 GRIK1 2801/4885GRIK2 3106/4885CPA1 2200/4885

“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.