SCHEMBL23051170

SCHEMBL23051170

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSc3ccccc3)C[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ESR1 P03372 2/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC29A1 Q99808 1/20 0.44
ELANE P08246 4/20 0.41
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
PPARG P37231 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTGS1 P23219 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33

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
SCHEMBL9598370 0.82 KDM4E (0.47) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11107810 0.81 KDM4E (0.54) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11212338 0.81 KDM4E (0.60) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11166036 0.80 KDM4E (0.53) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9318527 0.79 KDM4E (0.45) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9878668 0.79 KDM4E (0.47) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11160106 0.78 KDM4E (0.53) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11165433 0.78 KDM4E (0.51) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11165430 0.78 KDM4E (0.51) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11160112 0.78 KDM4E (0.53) KDM4ELMNAESR1CHRM1SLC6A4

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-11385229-B2 Amplification technology using dual enzyme cascade detection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-12 US disclosed
US-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-09 US disclosed
WO-2021041583-A1 COMPOUNDS TO IDENTIFY BETA-LACTAMASES, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO 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 (1 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-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof GUSB, GLB1, MGAM KDM4E 2730/4885LMNA 403/4885ESR1 3357/4885

“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.