SCHEMBL304840

SCHEMBL304840

CC(C)C(C(=O)O)=C(Cc1ccccc1)C(=O)O.[Na].[Na]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.45
AKR1B1 P15121 1/20 0.45
CTBP2 P56545 1/20 0.42
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL10193606 0.98 TSHR (0.49) TSHRCES1CES2AKR1B1CTBP2
SCHEMBL9709228 0.98 TSHR (0.49) TSHRCES1CES2AKR1B1CTBP2
SCHEMBL9709224 0.98 TSHR (0.49) TSHRCES1CES2AKR1B1CTBP2
SCHEMBL304838 0.96 TSHR (0.47) TSHRCES1CES2AKR1B1CTBP2
SCHEMBL304835 0.85 ALDH1A1 (0.46) TSHRPOLBKMT2AMEN1KDM4E
SCHEMBL4602719 0.84 CA2 (0.50) CTBP2POLBNPC1RAB9AFNTA
SCHEMBL4602713 0.84 CA2 (0.50) CTBP2POLBNPC1RAB9AFNTA
SCHEMBL305149 0.83 PLA2G10 (0.45) TSHRPOLBCYP3A4CYP2C19
SCHEMBL304692 0.83 NAPRT (0.55) POLBKMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL15751226 0.83 CA2 (0.48) CTBP2POLBNPC1RAB9AFNTA

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 TSHR 4198/4885CES1 206/4885CES2 400/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA TSHR 4198/4885CES1 206/4885CES2 400/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TSHR 4147/4885CES1 240/4885CES2 401/4885

“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.