SCHEMBL21973389

SCHEMBL21973389

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nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.48
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MMP2 P08253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
GSR P00390 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
RRM1 P23921 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
TLR2 O60603 1/20 0.35
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL20615612 1.00 PAOX (0.48) PAOXSIRT6SIRT1MMP2KDM4E
SCHEMBL19991828 0.84 DPP7 (0.46) PAOXSIRT6SIRT1DPP7RRM1
SCHEMBL18125223 0.84 DPP7 (0.46) PAOXSIRT6SIRT1DPP7RRM1
SCHEMBL22162694 0.81 MMP2 (0.42) PAOXSIRT6SIRT1MMP2GNAI3
SCHEMBL20685656 0.81 MMP2 (0.42) PAOXSIRT6SIRT1MMP2GNAI3
SCHEMBL23168318 0.81 MEN1 (0.42) PAOXSIRT6SIRT1MMP2GNAI3
SCHEMBL20685654 0.81 MMP2 (0.42) PAOXSIRT6SIRT1MMP2GNAI3
SCHEMBL22005704 0.81 MEN1 (0.42) PAOXSIRT6SIRT1MMP2GNAI3
SCHEMBL18085365 0.80 PAOX (0.48) PAOXSIRT6SIRT1KDM4EMAPK1
SCHEMBL18724552 0.79 ALDH1A1 (0.41) PAOXSIRT6SIRT1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 PAOX 1290/4885SIRT6 1748/4885SIRT1 2431/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 PAOX 1290/4885SIRT6 1748/4885SIRT1 2431/4885

“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.