SCHEMBL21764797

SCHEMBL21764797

CCCCCCOP(=O)(O)NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.58
LPAR2 Q9HBW0 7/20 0.58
LPAR1 Q92633 4/20 0.58
PLA2G2A P14555 2/20 0.43
CES2 O00748 1/20 0.43
EPHX1 P07099 1/20 0.42
LPAR5 Q9H1C0 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL21764587 0.98 LPAR3 (0.55) LPAR3LPAR2LPAR1PLA2G2ACES2
SCHEMBL21764714 0.93 CYP3A4 (0.48) LPAR3LPAR2LPAR1PLA2G2ACYP3A4
SCHEMBL21764799 0.85 LPAR3 (0.36) LPAR3LPAR2LPAR1PLA2G2ALPAR5
SCHEMBL27973622 0.78 LPAR3 (0.62) LPAR3LPAR2LPAR1LPAR5CYP3A4
SCHEMBL12555188 0.76 LPAR3 (0.60) LPAR3LPAR2LPAR1LPAR5CYP3A4
SCHEMBL1139886 0.76 LPAR3 (0.59) LPAR3LPAR2LPAR1LPAR5CYP3A4
SCHEMBL16996796 0.76 LPAR3 (0.64) LPAR3LPAR2LPAR1CES2LPAR5
SCHEMBL16996793 0.76 LPAR3 (0.64) LPAR3LPAR2LPAR1CES2LPAR5
SCHEMBL16996791 0.76 LPAR3 (0.64) LPAR3LPAR2LPAR1CES2LPAR5
SCHEMBL17860954 0.76 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4

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-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN LPAR3 3397/4885LPAR2 3576/4885LPAR1 3108/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 LPAR3 1324/4885LPAR2 1258/4885LPAR1 1238/4885

“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.