SCHEMBL23813640

SCHEMBL23813640

BOCC1OC(B)CC1OP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ INPP5A Q14642 3/20 0.35
▸ UPP1 Q16831 1/20 0.33
▸ ITPR2 Q14571 1/20 0.33
▸ ITPR3 Q14573 1/20 0.33
▸ ITPR1 Q14643 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ P2RY1 P47900 1/20 0.32

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
SCHEMBL14364674 0.87 FBP1 (0.47) FBP1P2RY1
SCHEMBL16674740 0.86 INPP5A (0.34) INPP5AUPP1ITPR2ITPR3ITPR1
SCHEMBL18054951 0.83 INPP5A (0.37) INPP5AITPR2ITPR3ITPR1
SCHEMBL271833 0.80 P2RY2 (0.37) P2RY1
SCHEMBL10005833 0.75 — —
SCHEMBL15806353 0.75 — —
SCHEMBL16674741 0.75 — —
SCHEMBL10018595 0.75 — —
SCHEMBL15905936 0.74 — —
SCHEMBL15788841 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-03-07 — — US disclosed
US-20210284679-A1 ß-Modified Phosphoric Acid Compound Precursor, ß-Modified Phosphoric Acid Compound, Reaction Inhibitor and Medicine Containing the Same, and Method for Inhibiting Reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-09-16 — — 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 (2 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-11597745-B2 β-modified phosphoric acid compound precursor, β-modified phosphoric acid compound, reaction inhibitor and medicine containing the same, and method for inhibiting reaction PPM1A, PPM1G, PPM1F INPP5A 227/4885UPP1 336/4885ITPR2 917/4885
US-20210284679-A1 ß-Modified Phosphoric Acid Compound Precursor, ß-Modified Phosphoric Acid Compound, Reaction Inhibitor and Medicine Containing the Same, and Method for Inhibiting Reaction IRS1, PPM1A, PPM1G INPP5A 203/4885UPP1 309/4885ITPR2 566/4885

“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.

Send feedback