SCHEMBL16115708

SCHEMBL16115708

CC(C)C=C(CC(=O)O)C(=O)C(=O)O.[KH]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA4 P48058 2/20 0.44
GRIK3 Q13003 2/20 0.44
GRIK5 Q16478 2/20 0.44
GRIA1 P42261 1/20 0.44
GRIK2 Q13002 1/20 0.44
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
RECQL P46063 1/20 0.32
CPB1 P15086 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16116174 0.98 GRIK1 (0.46) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL16135497 0.98 GRIK1 (0.46) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL342491 0.85 GRIK1 (0.53) GRIK1GRIA2GRIA4GRIK3GRIK5
Potassium Ion SCHEMBL16116168 0.82 GRIK1 (0.39) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL12162469 0.75 GRIK1 (0.40) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL1405553 0.75 GRIK1 (0.40) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL9241910 0.72 GRIK1 (0.38) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL7046565 0.71 SMN1; SMN2 (0.44) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL17468413 0.71 GRIK1 (0.37) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL16114942 0.70 GRIK1 (0.38) GRIK1GRIA2GRIA4GRIK3GRIK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-2978748-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN Pfizer Ireland Pharmaceuticals (IE) 2016-02-03 EP disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
CN-105051022-A Process and intermediates for the preparation of pregabalin PFIZER IRELAND PHARMACEUTICALS 2015-11-11 CN disclosed
WO-2014155291-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2014-10-02 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-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin GABRE, GABRG1, GABRG2 GRIK1 311/4885GRIA2 259/4885GRIA4 107/4885

“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.