SCHEMBL25878950

SCHEMBL25878950

COOSc1cccc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.50
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MGLL Q99685 2/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL12050488 0.77 ENPP2 (0.48) ENPP2KDM4EMGLLCA1CA2
SCHEMBL133330 0.75 ENPP2 (0.50) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL8975041 0.73 ACHE (0.44) ALDH1A1
SCHEMBL13913369 0.72 ALDH1A1 (0.39) ALDH1A1CA1CA2
SCHEMBL14285751 0.72 EGFR (0.39) KDM4EALDH1A1
SCHEMBL23912437 0.70 ENPP2 (0.45) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL3110223 0.70 ENPP2 (0.45) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL29951972 0.70 ENPP2 (0.46) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL852507 0.70 LPL (0.46) ENPP2KDM4EALDH1A1MGLLCA1
SCHEMBL29956472 0.70 ENPP2 (0.45) ENPP2KDM4EALDH1A1MGLLCA1

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-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS ELLORA THERAPEUTICS, INC. 2023-07-06 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-20230212127-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 ENPP2 280/4885KDM4E 3489/4885ALDH1A1 2323/4885

“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.