SCHEMBL304692

SCHEMBL304692

CC(C)C(C(=O)O)=C(Cc1cccnc1)C(=O)O.[Na].[Na]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.55
LMNA P02545 1/20 0.47
TBXAS1 P24557 8/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL10193626 0.99 NAPRT (0.57) NAPRTLMNATBXAS1CYP1A2CYP3A4
SCHEMBL304690 0.97 NAPRT (0.55) NAPRTLMNATBXAS1CYP1A2CYP3A4
SCHEMBL304840 0.83 TSHR (0.47) CYP1A2CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL9709228 0.81 TSHR (0.49) CYP1A2CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL9709224 0.81 TSHR (0.49) CYP1A2CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL10193606 0.81 TSHR (0.49) CYP1A2CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL304838 0.80 TSHR (0.47) CYP1A2CYP3A4CYP2C9KDM4EKMT2A
SCHEMBL304691 0.79 NAPRT (0.50) NAPRTLMNATBXAS1CYP1A2CYP3A4
SCHEMBL15751107 0.79 NAPRT (0.50) NAPRTLMNATBXAS1CYP1A2CYP3A4
SCHEMBL888708 0.77 NAPRT (0.62) NAPRTLMNATBXAS1CYP1A2CYP3A4

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 NAPRT 1807/4885LMNA 1246/4885TBXAS1 3557/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA NAPRT 1807/4885LMNA 1246/4885TBXAS1 3557/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA NAPRT 1751/4885LMNA 1157/4885TBXAS1 3289/4885

“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.