SCHEMBL305149

SCHEMBL305149

CC(C)C(C(=O)O)=C(Cc1ccc(C(N)=O)cc1)C(=O)O.[Na].[Na]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.45
PLA2G2A P14555 1/20 0.45
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
PARP10 Q53GL7 5/20 0.40
DPP4 P27487 4/20 0.40
RORC P51449 2/20 0.40
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL10193636 0.98 PLA2G10 (0.46) PLA2G10PLA2G2AF2PLGPRSS1
SCHEMBL305147 0.97 PLA2G10 (0.45) PLA2G10PLA2G2AF2PLGPRSS1
SCHEMBL304835 0.89 ALDH1A1 (0.46) POLBMAPTTSHRRECQLTDP1
SCHEMBL10193635 0.87 ALDH1A1 (0.47) POLBMAPTTSHRRECQLTDP1
SCHEMBL304833 0.86 ALDH1A1 (0.46) POLBMAPTTSHRRECQLTDP1
SCHEMBL304342 0.85 PARP10 (0.40) PLA2G10PLA2G2AF2PLGPRSS1
SCHEMBL303857 0.84 SPHK2 (0.44) F2PLGPRSS1PRSS2C1S
SCHEMBL304840 0.83 TSHR (0.47) POLBCYP3A4TSHRCYP2C19
SCHEMBL305641 0.82 SPHK2 (0.44) F2PLGPRSS1PRSS2C1S
SCHEMBL305643 0.82 SPHK2 (0.44) F2PLGPRSS1PRSS2C1S

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 PLA2G10 2962/4885PLA2G2A 3003/4885F2 2582/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA PLA2G10 2962/4885PLA2G2A 3003/4885F2 2582/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA PLA2G10 2940/4885PLA2G2A 2871/4885F2 2795/4885

“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.