SCHEMBL304069

SCHEMBL304069

CC(C)OC(=O)CCCS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FOLH1 Q04609 1/20 0.36
HTT P42858 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2B P41595 1/20 0.35
MC3R P41968 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6741044 0.93 LMNA (0.64) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL5829654 0.86
SCHEMBL8104259 0.85 LMNA (0.78) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL18619 0.85 LMNA (0.71) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL15391 0.85 LMNA (0.78) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL966811 0.84 LMNA (0.52) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL494255 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL12132118 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL495594 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2TSHR
SCHEMBL494127 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2TSHR

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 13 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
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 CN 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
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN 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
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 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 (6 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 LMNA 1246/4885ALDH1A1 372/4885GAA 3/4885
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 LMNA 4564/4885ALDH1A1 142/4885GAA 1233/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA LMNA 1246/4885ALDH1A1 372/4885GAA 3/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 LMNA 4573/4885ALDH1A1 171/4885GAA 1144/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA LMNA 1157/4885ALDH1A1 461/4885GAA 5/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 LMNA 3218/4885ALDH1A1 15/4885GAA 1778/4885

“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.