SCHEMBL10193607

SCHEMBL10193607

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.53
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
SHBG P04278 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL305852 0.98 CTBP2 (0.51) CTBP2KDM4EHPGDALDH1A1LMNA
SCHEMBL305854 0.98 CTBP2 (0.51) CTBP2KDM4EHPGDALDH1A1LMNA
SCHEMBL9709224 0.81 TSHR (0.49) CTBP2KDM4EHPGDKMT2AMEN1
SCHEMBL10193606 0.81 TSHR (0.49) CTBP2KDM4EHPGDKMT2AMEN1
SCHEMBL9709228 0.81 TSHR (0.49) CTBP2KDM4EHPGDKMT2AMEN1
SCHEMBL304840 0.79 TSHR (0.47) CTBP2KDM4EHPGDKMT2AMEN1
SCHEMBL304838 0.79 TSHR (0.47) CTBP2KDM4EHPGDKMT2AMEN1
SCHEMBL305853 0.78 CTBP2 (0.43) CTBP2KDM4EHPGDALDH1A1KMT2A
SCHEMBL15751169 0.78 CTBP2 (0.43) CTBP2KDM4EHPGDALDH1A1KMT2A
SCHEMBL2935163 0.74 CTBP2 (0.62) CTBP2KDM4EHPGDALDH1A1KMT2A

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 7 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
WO-2013015388-A1 NDM INHIBITOR Meiji Seikaファルマ株式会社 (JP) 2013-01-31 WO disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CTBP2 4046/4885KDM4E 2771/4885HPGD 775/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CTBP2 4106/4885KDM4E 1682/4885HPGD 869/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CTBP2 3605/4885KDM4E 2768/4885HPGD 905/4885

“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.