SCHEMBL305595

SCHEMBL305595

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.53
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FAAH O00519 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
SCHEMBL305597 1.00 HCAR2 (0.53) HCAR2ACE2GPR84FFAR1MAPT
SCHEMBL305594 0.94 HCAR2 (0.42) HCAR2ACE2GPR84FFAR1FAAH
SCHEMBL11747171 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL11747182 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL9153654 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL9150192 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL11750529 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL9149032 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL9153650 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH
SCHEMBL9149024 0.84 HCAR2 (0.56) HCAR2ACE2GPR84FAAH

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 3356/4885ACE2 679/4885GPR84 3906/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA HCAR2 3356/4885ACE2 679/4885GPR84 3906/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA HCAR2 3339/4885ACE2 795/4885GPR84 4029/4885

“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.