SCHEMBL10249975

SCHEMBL10249975

CCOC(=O)CCc1ccc(CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
TDP1 Q9NUW8 1/20 0.47
FAAH O00519 1/20 0.44
CYP4Z1 Q86W10 1/20 0.43
EPHX2 P34913 1/20 0.43
ALOX5 P09917 1/20 0.43
ABCB1 P08183 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
APP P05067 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL15120989 0.87 POLB (0.46) CYP4F2CYP4A11FAAHPOLBMAPT
SCHEMBL15120997 0.83 CYP4F2 (0.47) CYP4F2CYP4A11FAAHALOX5POLB
SCHEMBL13742933 0.80 PPID (0.40) CYP4F2CYP4A11POLBL3MBTL1
SCHEMBL800069 0.79 CYP4F2 (0.51) CYP4F2CYP4A11TDP1FAAHCYP4Z1
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.78 TDP1 (0.75) CYP4F2CYP4A11TDP1CYP4Z1ALOX5
SCHEMBL28208702 0.77 CYP4F2 (0.66) CYP4F2CYP4A11TDP1CYP4Z1EPHX2
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.76 TDP1 (0.72) CYP4F2CYP4A11TDP1CYP4Z1ALOX5
SCHEMBL68902 0.76 CYP4F2 (0.85) CYP4F2CYP4A11TDP1CYP4Z1EPHX2
SCHEMBL2773061 0.75 CYP4F2 (0.68) CYP4F2CYP4A11TDP1CYP4Z1ALOX5
SCHEMBL2772418 0.75 CYP4F2 (0.68) CYP4F2CYP4A11TDP1CYP4Z1ALOX5

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP4F2 1625/4885CYP4A11 1497/4885TDP1 2860/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP4F2 1614/4885CYP4A11 1459/4885TDP1 3098/4885

“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.