SCHEMBL25801923

SCHEMBL25801923

CCCCCCCCC(=O)CNC(=O)CC(C(=O)OC(C)(C)C)P(C)(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ENPP2 Q13822 2/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
PTPN1 P18031 1/20 0.33
LPAR3 Q9UBY5 5/20 0.33
PLA2G4A P47712 3/20 0.33
FAAH O00519 2/20 0.33
BIRC2 Q13490 1/20 0.33
LPAR6 P43657 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.31

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
SCHEMBL25801860 0.85 GAA (0.36) GAALPAR1LPAR2LPAR3PLA2G4A
SCHEMBL25801535 0.73 TSHR (0.31) GAA
SCHEMBL25801865 0.72 NOS1 (0.30)
SCHEMBL25801531 0.71 TSHR (0.31)
SCHEMBL25802002 0.70 MMP8 (0.33)
SCHEMBL25801863 0.70 TSHR (0.32)
SCHEMBL28842631 0.67 HSP90AA1 (0.31) ENPP2LPAR1LPAR2LPAR3BIRC2
SCHEMBL25801858 0.67 NPSR1 (0.43)
SCHEMBL25801743 0.67 LMNA (0.41) GAA
SCHEMBL7099471 0.66 GAA (0.59) GAAFAAH

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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 GAA 1592/4885ENPP2 132/4885LPAR1 2445/4885

“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.