SCHEMBL800592

SCHEMBL800592

COC(=O)C(CN1CCC(O)CC1)=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TERT O14746 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
USP5 P45974 1/20 0.31
USP14 P54578 1/20 0.31
USP7 Q93009 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL303937 0.89 ALDH1A1 (0.34) KDM4EALDH1A1USP2SMN1; SMN2MAPK1
SCHEMBL303939 0.89 ALDH1A1 (0.34) KDM4EALDH1A1USP2SMN1; SMN2MAPK1
SCHEMBL800059 0.81 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1965586 0.77 SMN1; SMN2 (0.45) KDM4EALDH1A1USP2SMN1; SMN2MAPK1
SCHEMBL12640379 0.74 ALDH1A1 (0.41) KDM4EALDH1A1USP2SMN1; SMN2TERT
SCHEMBL10193628 0.72 ALDH1A1 (0.36) KDM4EALDH1A1USP2SMN1; SMN2TERT
SCHEMBL304459 0.71 ALDH1A1 (0.35) KDM4EALDH1A1USP2SMN1; SMN2TERT
SCHEMBL304457 0.71 ALDH1A1 (0.35) KDM4EALDH1A1USP2SMN1; SMN2TERT
SCHEMBL303938 0.71 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2TERT
SCHEMBL304458 0.70 USP2 (0.35) ALDH1A1USP2TERTUSP5USP14

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 3 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-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 (2 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 KDM4E 2771/4885ALDH1A1 372/4885USP2 1517/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA KDM4E 2768/4885ALDH1A1 461/4885USP2 1671/4885

“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.