SCHEMBL304057

SCHEMBL304057

COC(=O)/C(Cc1ccc(CO)cc1)=C(\C(=O)OC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
POLB P06746 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ADAMTS4 O75173 1/20 0.33
KLK7 P49862 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL304058 1.00 CYP4F2 (0.39) CYP4F2CYP4A11POLBADRB2ADRB1
SCHEMBL304962 0.88 ESR1 (0.42) POLBHTTLMNA
SCHEMBL304960 0.88 ESR1 (0.42) POLBHTTLMNA
SCHEMBL304846 0.85 ALDH1A1 (0.42) POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL304844 0.85 ALDH1A1 (0.42) POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL304341 0.84 PARP10 (0.41)
SCHEMBL305320 0.84 ALDH1A1 (0.41) CYP4F2CYP4A11POLBADRB2ADRB1
SCHEMBL304343 0.84 PARP10 (0.41)
SCHEMBL305322 0.84 ALDH1A1 (0.41) CYP4F2CYP4A11POLBADRB2ADRB1
SCHEMBL304481 0.80 PTGS2 (0.43) POLBADRB2ADRB1ADRB3LMNA

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 6 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-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 CYP4F2 1625/4885CYP4A11 1497/4885POLB 385/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CYP4F2 1625/4885CYP4A11 1497/4885POLB 385/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP4F2 1614/4885CYP4A11 1459/4885POLB 247/4885

“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.