SCHEMBL22166268

SCHEMBL22166268

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ccccn3)[C@H](C)[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
CACNA1C Q13936 1/20 0.42
ABCC2 Q92887 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAP Q12884 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC29A1 Q99808 1/20 0.32

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
SCHEMBL9696455 0.88 ESR1 (0.44) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL11204180 0.87 ESR1 (0.47) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL8530735 0.84 PTGS1 (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL10614146 0.84 PTGS1 (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL9220172 0.84 PTGS1 (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL9836121 0.84 PTGS1 (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL9220178 0.84 PTGS1 (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7982997 0.83 ESR1 (0.45) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7986868 0.83 ESR1 (0.45) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL7982994 0.83 ESR1 (0.45) ESR1PTGS1PDE4ACACNA1CABCC2

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-10695322-B2 Inhibitors of bacterial growth THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-30 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-10695322-B2 Inhibitors of bacterial growth DPEP1, PEPD, ANPEP ESR1 3986/4885PTGS1 742/4885PDE4A 1515/4885

“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.