SCHEMBL800595

SCHEMBL800595

CC(C)/C=C(\Cc1ccc(C(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HRH3 Q9Y5N1 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
ACACB O00763 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
PHGDH O43175 1/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45

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
SCHEMBL800597 0.85 SIGMAR1 (0.50) ALDH1A1KMT2AHPGDHRH3
SCHEMBL800085 0.84 GRM5 (0.47) ALDH1A1KMT2AL3MBTL1HRH3GAA
SCHEMBL10193638 0.78 HRH3 (0.51) ALDH1A1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL800588 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL8251810 0.76 TSHR (0.66) ALDH1A1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL800076 0.74 PLA2G10 (0.45) L3MBTL1MAPTTSHR
SCHEMBL309271 0.74 HPGD (0.64) ALDH1A1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL800118 0.74 CA2 (0.52) LMNA
SCHEMBL10720943 0.73 PHGDH (0.81) ALDH1A1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL3364515 0.73 PHGDH (0.61) ALDH1A1KMT2AL3MBTL1HPGDSMN1; SMN2

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 5 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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885KMT2A 1979/4885L3MBTL1 1177/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 ALDH1A1 342/4885KMT2A 1883/4885L3MBTL1 1938/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885KMT2A 1961/4885L3MBTL1 933/4885

“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.