SCHEMBL800038

SCHEMBL800038

CCC/C=C(\CCC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.55
GRIK2 Q13002 2/20 0.55
FFAR3 O14843 3/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
EP300 Q09472 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
TERT O14746 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL4246377 1.00 GRIK1 (0.55) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL811730 1.00 GRIK1 (0.55) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL21635680 0.98 GRIK1 (0.53) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL21635654 0.98 GRIK1 (0.53) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL21635669 0.98 GRIK1 (0.53) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL7559357 0.86 GRIK1 (0.52) GRIK1GRIK2EP300CES2CES1
SCHEMBL6687353 0.86 GRIK1 (0.58) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL29001273 0.86 GRIK1 (0.52) GRIK1GRIK2FFAR3HDAC3HDAC1
SCHEMBL811600 0.86 GRIK1 (0.52) GRIK1GRIK2EP300CES2CES1
SCHEMBL3020013 0.86 GRIK1 (0.47) GRIK1GRIK2FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
US-4143020-A COPOLYMERS OF SULFONIC ACID MONOMERS ROHM AND HAAS COMPANY (US) 1979-03-06 US disclosed
US-4131736-A Polymers of sulfonic acid monomers ROHM AND HAAS COMPANY (US) 1978-12-26 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA GRIK1 2255/4885GRIK2 2664/4885FFAR3 4843/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 GRIK1 4072/4885GRIK2 4385/4885FFAR3 4695/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA GRIK1 2469/4885GRIK2 2749/4885FFAR3 4849/4885

“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.