SCHEMBL306274

SCHEMBL306274

CC(C)COC(=O)OC(C)I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL31731225 0.81 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL3116763 0.81 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL10662875 0.81 MAPT (0.42) ALDH1A1MAPT
SCHEMBL10663016 0.81 TSHR (0.37) TSHRALDH1A1TDP1LMNACYP3A4
SCHEMBL25435787 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL37351 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL10539773 0.79
SCHEMBL13133072 0.79 TSHR (0.45) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL304485 0.79
SCHEMBL6895063 0.78 CA1 (0.41) ALDH1A1TDP1LMNAKMT2AL3MBTL1

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 15 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-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 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
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 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
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-5405844-A Tetracyclic antibiotics and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0517065-A1 Tetracyclic beta-lactam antibiotics and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-09 EP disclosed
US-4755598-A 1'-(substituted)ethyl-7β-[2-(2-aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylate derivatives having antibacterial utility TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-07-05 US disclosed
EP-0128028-A2 Cephalosporin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 EP 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 (5 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 4198/4885ALDH1A1 372/4885TDP1 2860/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT TSHR 1626/4885ALDH1A1 1218/4885TDP1 2900/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA TSHR 4198/4885ALDH1A1 372/4885TDP1 2860/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM TSHR 1341/4885ALDH1A1 1182/4885TDP1 3001/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TSHR 4147/4885ALDH1A1 461/4885TDP1 3098/4885

“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.