SCHEMBL304373

SCHEMBL304373

CC(C)C1=C(Cc2ccccc2)C(=O)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
CAPN1 P07384 1/20 0.39
IDH1 O75874 1/20 0.39
CALM1 P0DP23 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TAAR1 Q96RJ0 3/20 0.36
SLC18A2 Q05940 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C2 P08235 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35

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
SCHEMBL304333 0.82 MEN1 (0.49) MEN1KMT2AKDM4EMAPTCDC25A
SCHEMBL304272 0.81 TBXAS1 (0.52) CYP1A2KMT2ANR3C2L3MBTL1
SCHEMBL305339 0.80 CALM1 (0.52) CYP1A2CYP2C9MAPK1HIF1AIDH1
SCHEMBL305847 0.78 TYMP (0.39) CNR2GPR55TAAR1KDM4E
SCHEMBL304780 0.76 TP53 (0.44) CYP1A2CYP2C9MAPK1HIF1ACALM1
SCHEMBL8132266 0.65 CALM1 (0.55) IDH1CALM1GPR55MEN1KMT2A
SCHEMBL304454 0.65 ALDH1A1 (0.38) CYP1A2CYP2C9MAPK1HIF1AMEN1
SCHEMBL27623517 0.63 MAOA (0.57) CYP1A2CYP2C9MAPK1HIF1AIDH1
SCHEMBL16431430 0.63 KDM4E (0.51) CYP1A2CYP2C9MEN1KMT2AKDM4E
SCHEMBL7912380 0.63 TBXAS1 (0.69) CYP1A2CYP2C9MAPK1HIF1AMEN1

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 19 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-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
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-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US 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-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-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
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 CYP1A2 749/4885CYP2C9 864/4885MAPK1 2838/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CYP1A2 749/4885CYP2C9 864/4885MAPK1 2838/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP1A2 715/4885CYP2C9 847/4885MAPK1 2855/4885

“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.