SCHEMBL800076

SCHEMBL800076

CC(C)/C=C(\Cc1ccc(C(N)=O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.45
PLA2G2A P14555 1/20 0.45
PARP10 Q53GL7 6/20 0.42
GRIK1 P39086 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA4 P48058 2/20 0.42
GRIK3 Q13003 2/20 0.42
GRIK5 Q16478 2/20 0.42
GRIA1 P42261 1/20 0.42
GRIK2 Q13002 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
DPP4 P27487 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL800588 0.87 ALDH1A1 (0.47) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL800118 0.83 CA2 (0.52) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL800075 0.82 SPHK2 (0.47) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL800484 0.82 CYP3A4 (0.58) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL800089 0.79 CYP19A1 (0.43) CYP3A4MAPTTSHRBLMPMP22
SCHEMBL800077 0.78 HTT (0.54) CYP3A4POLBTDP1L3MBTL1
SCHEMBL800614 0.76 LTA4H (0.44) CYP3A4
SCHEMBL800784 0.75 ALDH1A1 (0.49) MAPTTSHR
SCHEMBL800595 0.74 ALDH1A1 (0.54) MAPTTSHRL3MBTL1
SCHEMBL800597 0.74 SIGMAR1 (0.50)

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
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

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 PLA2G10 2962/4885PLA2G2A 3003/4885PARP10 3704/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 PLA2G10 3465/4885PLA2G2A 4085/4885PARP10 1814/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA PLA2G10 2940/4885PLA2G2A 2871/4885PARP10 3631/4885

“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.