SCHEMBL3429973

SCHEMBL3429973

[O]CCCNCCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.42
LPAR3 Q9UBY5 8/20 0.41
LPAR2 Q9HBW0 7/20 0.41
LPAR1 Q92633 5/20 0.41
ENPP2 Q13822 1/20 0.36
S1PR2 O95136 5/20 0.33
S1PR4 O95977 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
TPI1 P60174 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL3429502 0.92 SAT1 (0.50) SAT1LPAR3LPAR2LPAR1S1PR2
SCHEMBL3429864 0.89 SAT1 (0.38) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL3429682 0.87 LPAR3 (0.39) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL17859165 0.87 LPAR3 (0.44) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL3429975 0.83 SAT1 (0.42) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL9172734 0.82 DRD3 (0.52) SAT1LPAR3LPAR2LPAR1
SCHEMBL13400489 0.82 LPAR3 (0.59) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL14782501 0.81 ANPEP (0.44) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL5978775 0.80 LPAR3 (0.62) SAT1LPAR3LPAR2LPAR1ENPP2
SCHEMBL31086327 0.79 CA12 (0.46) SAT1LPAR3LPAR2LPAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SAT1 2675/4885LPAR3 3825/4885LPAR2 4113/4885

“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.