SCHEMBL22911020

SCHEMBL22911020

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)N(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 3/20 0.73
▸ S1PR4 O95977 2/20 0.68
▸ S1PR1 P21453 2/20 0.68
▸ S1PR3 Q99500 2/20 0.68
▸ S1PR5 Q9H228 2/20 0.68
▸ S1PR2 O95136 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ TSPO P30536 1/20 0.68
▸ TMEM97 Q5BJF2 1/20 0.68
▸ SIGMAR1 Q99720 1/20 0.68
▸ SGPL1 O95470 4/20 0.62
▸ SPHK2 Q9NRA0 2/20 0.62
▸ SPHK1 Q9NYA1 2/20 0.62
▸ CETP P11597 1/20 0.62
▸ LPAR1 Q92633 6/20 0.51
▸ LPAR3 Q9UBY5 4/20 0.51
▸ ENPP2 Q13822 2/20 0.51
▸ LPAR4 Q99677 2/20 0.51
▸ LPAR5 Q9H1C0 2/20 0.51
▸ LPAR2 Q9HBW0 2/20 0.51

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
SCHEMBL3768316 1.00 PLA2G4A (0.73) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL23925264 0.87 PLA2G4A (0.67) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL3772063 0.87 SPHK2 (0.62) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL5500454 0.83 S1PR4 (0.75) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL13030815 0.83 S1PR4 (0.75) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL18993886 0.82 S1PR4 (0.73) PLA2G4AS1PR4S1PR1S1PR3S1PR5
Dimethylspingosine SCHEMBL19745875 0.82 SPHK2 (0.86) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL20798182 0.81 S1PR1 (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL22910837 0.81 S1PR1 (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5
SCHEMBL17482409 0.81 S1PR1 (1.00) PLA2G4AS1PR4S1PR1S1PR3S1PR5

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-20210015767-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID BEIJING BAISHIHEKANG PHARMACEUTICAL TECHNOLOGY (BSJPHARMA) CO., LTD (CN) 2021-01-21 — — 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-20210015767-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID SPHK2, SPHK1, S1PR2 PLA2G4A 65/4885S1PR4 5/4885S1PR1 4/4885

“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.

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