SCHEMBL4566606

SCHEMBL4566606

CCCCCCCCCCCCCCCCCCC(O)(C(O)CN)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.56
SMPD1 P17405 5/20 0.56
GGPS1 O95749 7/20 0.53
LPAR1 Q92633 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47

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
SCHEMBL4552171 0.91 GGPS1 (0.48) FDPSSMPD1GGPS1LPAR3
SCHEMBL4552690 0.91 GGPS1 (0.48) FDPSSMPD1GGPS1LPAR3
SCHEMBL7796960 0.85 FDPS (0.55) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL7549125 0.85 FDPS (0.55) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL6535665 0.79 LPAR5 (0.49) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL7554692 0.77 GGPS1 (0.49) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL4566609 0.72 FDPS (0.43) FDPSSMPD1GGPS1
SCHEMBL11793619 0.72 FDPS (1.00) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL11773363 0.72 FDPS (1.00) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL4094991 0.72 FDPS (1.00) FDPSSMPD1GGPS1LPAR1LPAR3

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-20090324704-A1 PHOSPHATE DIESTER AMIDES MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2009-12-31 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-20090324704-A1 PHOSPHATE DIESTER AMIDES PHOSPHO1, NAPEPLD, PLCG2 FDPS 198/4885SMPD1 108/4885GGPS1 165/4885

“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.