SCHEMBL418520

SCHEMBL418520

CN[C@@H](CCO)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MIF P14174 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.34
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MME P08473 2/20 0.33
FOLH1 Q04609 1/20 0.32
TGFBR1 P36897 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL30639505 1.00 CA1 (0.36) CA1CA2SMN1; SMN2MIFZDHHC7
SCHEMBL10173639 0.82 CA1 (0.45) CA1CA2SMN1; SMN2ZDHHC7TAS1R3
SCHEMBL26076486 0.82 CA1 (0.45) CA1CA2SMN1; SMN2ZDHHC7TAS1R3
SCHEMBL31325615 0.82 FOLH1 (0.35) CA1CA2MIFZDHHC7ALDH1A1
SCHEMBL17619410 0.81
SCHEMBL9069562 0.81
SCHEMBL8243247 0.81
SCHEMBL23419990 0.80 CA1 (0.35) CA1CA2SMN1; SMN2ZDHHC7FOLH1
SCHEMBL12305046 0.80 MIF (0.38) CA1CA2SMN1; SMN2MIFZDHHC7
Hydrochloric Acid SCHEMBL28044611 0.80 CA1 (0.44) CA1CA2SMN1; SMN2ZDHHC7TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 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 (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-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 CA1 4679/4885CA2 4684/4885SMN1; SMN2 3879/4885

“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.