SCHEMBL21022931

SCHEMBL21022931

COC(=O)[C@H]1N=C(c2cccc(OCc3ccccc3)c2OCc2ccccc2)O[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 4/20 0.39
PTGER3 P43115 4/20 0.39
PTGER2 P43116 4/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
EDNRA P25101 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL15942232 0.92 RXRA (0.47) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL15947712 0.92 RXRA (0.47) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL15942231 0.92 RXRA (0.47) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL17402231 0.84 RXRA (0.47) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL15941028 0.83 RXRA (0.49) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL15942310 0.83 RXRA (0.49) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL15941208 0.83 RXRA (0.49) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL15942243 0.83 RXRA (0.49) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL17389334 0.83 RXRA (0.49) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL17389349 0.80 RXRA (0.44) PTGER1RXRARXRBRXRGPTGER4

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-11149046-B2 Antibacterial sideromycins Hsiri Therapeutics, Inc. (US) 2021-10-19 US disclosed
US-20190352691-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-11-21 US disclosed
US-20190153010-A1 ANTIBACTERIAL SIDEROMYCINS Hsiri Therapeutics, LLC 2019-05-23 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-11149046-B2 Antibacterial sideromycins SLC40A1, SFXN1, SLC39A14 PTGER1 4537/4885RXRA 3286/4885RXRB 3391/4885
US-20190153010-A1 ANTIBACTERIAL SIDEROMYCINS SLC40A1, SFXN1, SLC39A14 PTGER1 4537/4885RXRA 3286/4885RXRB 3391/4885

“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.