SCHEMBL4097953

SCHEMBL4097953

CCNC(=O)NCCOP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
LPAR2 Q9HBW0 5/20 0.47
ENPP2 Q13822 1/20 0.47
LPAR3 Q9UBY5 6/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
EPHX1 P07099 2/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL17758488 0.82 LPAR1 (0.44) LPAR1LPAR2ENPP2LPAR3CA12
SCHEMBL12846144 0.79 GAA (0.49) EPHX1
SCHEMBL26755912 0.78 LPAR1 (0.55) LPAR1LPAR2ENPP2LPAR3CA12
SCHEMBL17753845 0.78 LPAR1 (0.46) LPAR1LPAR2ENPP2LPAR3CA12
SCHEMBL14090771 0.76 LPAR1 (0.41) LPAR1LPAR2ENPP2LPAR3CA12
SCHEMBL17758486 0.76 LPAR2 (0.45) LPAR1LPAR2ENPP2LPAR3CA12
SCHEMBL12716923 0.76 LPAR2 (0.46) LPAR1LPAR2ENPP2LPAR3MMP1
SCHEMBL17753978 0.76 LPAR1 (0.64) LPAR1LPAR2ENPP2LPAR3
SCHEMBL3239278 0.75 LPAR2 (0.44) LPAR1LPAR2ENPP2LPAR3CA12
SCHEMBL4098549 0.75 SAT1 (0.53) LPAR1LPAR2ENPP2LPAR3CA12

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-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT VOCO GMBH (DE) 2012-05-10 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-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT CAD, PCBP1, PPIP5K2 LPAR1 2921/4885LPAR2 2660/4885ENPP2 1012/4885

“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.