SCHEMBL305594

SCHEMBL305594

CCCCCCCCCCCC(C)C(C)OC(=O)/C=C\C(=O)OC(C)C(C)CCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
LMNA P02545 2/20 0.42
FAAH O00519 5/20 0.41
ATM Q13315 1/20 0.41
SMPD1 P17405 3/20 0.41
ACE2 Q9BYF1 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
CA1 P00915 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40

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
SCHEMBL305595 0.94 HCAR2 (0.53) HCAR2FAAHACE2GPR84FFAR1
SCHEMBL305597 0.94 HCAR2 (0.53) HCAR2FAAHACE2GPR84FFAR1
SCHEMBL5029204 0.86 TSHR (0.44) LMNAFAAHSMPD1ACE2CNR1
SCHEMBL13688231 0.82 EGFR (0.50) LMNACA1
SCHEMBL7064100 0.81 FAAH (0.56) HCAR2LMNAFAAHATMACE2
SCHEMBL9153648 0.81 FAAH (0.56) HCAR2LMNAFAAHATMACE2
SCHEMBL7064102 0.81 FAAH (0.56) HCAR2LMNAFAAHATMACE2
SCHEMBL9149011 0.81 FAAH (0.56) HCAR2LMNAFAAHATMACE2
SCHEMBL21623970 0.81 FAAH (0.56) HCAR2LMNAFAAHATMACE2
SCHEMBL29382241 0.80 FAAH (0.54) HCAR2LMNAFAAHATMACE2

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
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-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 (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 HCAR2 3356/4885LMNA 1246/4885FAAH 2394/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA HCAR2 3356/4885LMNA 1246/4885FAAH 2394/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA HCAR2 3339/4885LMNA 1157/4885FAAH 2529/4885

“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.