SCHEMBL800058

SCHEMBL800058

Cc1ccccc1C/C(=C\C(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.51
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GRIK1 P39086 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA4 P48058 2/20 0.40
GRIK3 Q13003 2/20 0.40
GRIK5 Q16478 2/20 0.40
GRIA1 P42261 1/20 0.40
GRIK2 Q13002 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
SHBG P04278 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39
HTT P42858 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
SCHEMBL14263872 0.80 CTBP2 (0.54) CTBP2KDM4EKMT2APTGS2GAA
SCHEMBL800484 0.80 CYP3A4 (0.58) CTBP2KMT2AALDH1A1HPGDGRIK1
SCHEMBL27701670 0.75 CTBP2 (0.59) CTBP2KMT2APTGS2GAAALDH1A1
SCHEMBL12158563 0.73 CTBP2 (0.53) CTBP2KDM4EKMT2APTGS2GAA
SCHEMBL2935163 0.73 CTBP2 (0.62) CTBP2KDM4EKMT2APTGS2GAA
SCHEMBL2528595 0.73 AKR1B1 (0.61) CTBP2KMT2APTGS2GAAALDH1A1
SCHEMBL29631318 0.73 AKR1B1 (0.61) CTBP2KMT2APTGS2GAAALDH1A1
SCHEMBL8285 0.73 AKR1B1 (0.61) CTBP2KMT2APTGS2GAAALDH1A1
SCHEMBL10193607 0.72 CTBP2 (0.53) CTBP2KDM4EKMT2APTGS2GAA
SCHEMBL800118 0.71 CA2 (0.52) CTBP2GRIK1GRIA2GRIA4GRIK3

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 CTBP2 4046/4885KDM4E 2771/4885KMT2A 1979/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CTBP2 4106/4885KDM4E 1682/4885KMT2A 1883/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CTBP2 3605/4885KDM4E 2768/4885KMT2A 1961/4885

“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.