SCHEMBL6703656

SCHEMBL6703656

O=C(NCCC(P(=O)(O)O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ SLC1A3 P43003 1/20 0.57
▸ SLC1A1 P43005 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TGM2 P21980 1/20 0.51
▸ KEAP1 Q14145 2/20 0.50
▸ NFE2L2 Q16236 2/20 0.50
▸ KCNA5 P22460 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL3844555 0.87 LMNA (0.58) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL863804 0.84 LMNA (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7752769 0.82 LMNA (0.67) LMNASMN1; SMN2SLC1A3SLC1A1HTT
(Benzyloxycarbonylamino)Methylphosphonic Acid SCHEMBL5586441 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2HSD17B10
SCHEMBL18085402 0.81 SLC1A3 (0.62) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL16269912 0.81 SLC1A3 (0.62) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL3362572 0.81 HTT (0.67) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL13055383 0.81 LMNA (0.80) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7378562 0.81 LMNA (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7855071 0.81 ELANE (0.49) —

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-20040181078-A1 Tetraphosphonate bicyclic trisanhydrides PHARMASSET, LTD. 2004-09-16 — — US claimed

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-20040181078-A1 Tetraphosphonate bicyclic trisanhydrides IDH1, PPIP5K2, DHPS LMNA 2232/4885SMN1; SMN2 3379/4885SLC1A3 2383/4885

“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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