SCHEMBL304740

SCHEMBL304740

CC(Cl)OC(=O)N1[C@H](C)CCC[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
MGLL Q99685 1/20 0.41
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
HSD11B1 P28845 1/20 0.37
CHRM1 P11229 1/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
ACE P12821 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL304741 1.00 RECQL (0.43) RECQLMGLLKMT2AALDH1A1MEN1
SCHEMBL13321385 0.85 RECQL (0.46) RECQLMGLLKMT2AALDH1A1MEN1
SCHEMBL4424420 0.85 RECQL (0.46) RECQLMGLLKMT2AALDH1A1MEN1
SCHEMBL15963772 0.81 CHRM1 (0.35) KMT2AALDH1A1MEN1CHRM1TSHR
SCHEMBL13301215 0.81 RECQL (0.47) RECQLMGLLKMT2AALDH1A1MEN1
SCHEMBL16468175 0.76 KMT2A (0.45) RECQLMGLLKMT2AALDH1A1MEN1
SCHEMBL16468333 0.76 PHGDH (0.40) RECQLMGLLALDH1A1HPGDSMN1; SMN2
SCHEMBL8245180 0.75 MAPK1 (0.49) KMT2AALDH1A1MEN1CHRM1
SCHEMBL304820 0.74 TSHR (0.50) RECQLMGLLALDH1A1HSD11B1CHRM1
SCHEMBL16468530 0.74 KMT2A (0.40) RECQLMGLLKMT2AALDH1A1MEN1

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 11 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

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 RECQL 2124/4885MGLL 30/4885KMT2A 1979/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT RECQL 2412/4885MGLL 3327/4885KMT2A 1498/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA RECQL 2124/4885MGLL 30/4885KMT2A 1979/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM RECQL 1874/4885MGLL 2686/4885KMT2A 351/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA RECQL 2133/4885MGLL 33/4885KMT2A 1961/4885

“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.