SCHEMBL304820

SCHEMBL304820

COC(=O)N1C(C)CCCC1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
MGLL Q99685 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
CHRM1 P11229 1/20 0.40
ACE P12821 1/20 0.40
HSD11B1 P28845 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL10285466 0.91 TSHR (0.54) TSHRRECQLMGLLSMN1; SMN2NPSR1
SCHEMBL304819 0.80 RECQL (0.48) TSHRRECQLMGLLSMN1; SMN2ALDH1A1
SCHEMBL304292 0.78 CHRM1 (0.55) RECQLMGLLSMN1; SMN2ALDH1A1HPGD
SCHEMBL13321596 0.78 CHRM1 (0.55) RECQLMGLLSMN1; SMN2ALDH1A1HPGD
SCHEMBL20204964 0.78 RECQL (0.43) RECQLMGLLSMN1; SMN2ALDH1A1HPGD
SCHEMBL12518182 0.77 GRM5 (0.42) TSHRALDH1A1CHRM1
SCHEMBL5516152 0.77 PRMT5 (0.52) SMN1; SMN2NPSR1ALDH1A1HPGDGLA
SCHEMBL16467966 0.77 RECQL (0.50) RECQLMGLLALDH1A1HPGDGLA
SCHEMBL304291 0.77 RECQL (0.46) RECQLMGLLSMN1; SMN2ALDH1A1HPGD
SCHEMBL4424420 0.77 RECQL (0.46) TSHRRECQLMGLLSMN1; SMN2ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
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
EP-2415875-B1 METHOD FOR IDENTIFICATION OF METALLO-[BETA]-LACTAMASE-PRODUCING BACTERIUM MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-04 EP disclosed
US-8697382-B2 Method of identifying metallo-β-lactamase-producing bacteria MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-04-15 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-20120064557-A1 METHOD OF IDENTIFYING METALLO-BETA-LACTAMASE-PRODUCING BACTERIA MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-03-15 US disclosed
EP-2415875-A1 METHOD FOR IDENTIFICATION OF METALLO- B -LACTAMASE-PRODUCING BACTERIUM Meiji Seika Pharma Co., Ltd. (JP) 2012-02-08 EP 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

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 4198/4885RECQL 2124/4885MGLL 30/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT TSHR 1626/4885RECQL 2412/4885MGLL 3327/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA TSHR 4198/4885RECQL 2124/4885MGLL 30/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM TSHR 1341/4885RECQL 1874/4885MGLL 2686/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TSHR 4147/4885RECQL 2133/4885MGLL 33/4885

“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.