SCHEMBL22374285

SCHEMBL22374285

C[C@@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CCCO1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.38
FNTA P49354 3/20 0.32
PGGT1B P53609 2/20 0.32
FNTB P49356 1/20 0.32
P2RY2 P41231 3/20 0.31
P2RY4 P51582 3/20 0.31
MVD P53602 2/20 0.31

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
SCHEMBL13227563 0.73 P2RY2 (0.39) BTN3A1P2RY2P2RY4
SCHEMBL13113679 0.73 P2RY2 (0.39) BTN3A1P2RY2P2RY4
SCHEMBL2034253 0.71 BTN3A1 (0.47) BTN3A1FNTAPGGT1BFNTBMVD
SCHEMBL13101853 0.68 BTN3A1 (0.33) BTN3A1
SCHEMBL2034053 0.67 BTN3A1 (0.50) BTN3A1FNTAPGGT1BFNTBMVD
SCHEMBL13226751 0.67 BTN3A1 (0.37) BTN3A1FNTAPGGT1BFNTBP2RY2
SCHEMBL13226460 0.67 BTN3A1 (0.37) BTN3A1FNTAPGGT1BFNTBP2RY2
SCHEMBL21705925 0.66
SCHEMBL29233723 0.65 ALOX15 (0.34)
SCHEMBL4946200 0.65 BTN3A1 (0.40) BTN3A1MVD

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-11623940-B2 Methods of nucleic acid synthesis comprising polyphosphate containing species Nuclera Nucleics Ltd. (GB) 2023-04-11 US disclosed
US-20200270296-A1 Novel Use Nuclera Nucleics Ltd. (GB) 2020-08-27 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-20200270296-A1 Novel Use RNGTT, MTAP, NUDT1 BTN3A1 1507/4885FNTA 716/4885PGGT1B 1990/4885
US-11623940-B2 Methods of nucleic acid synthesis comprising polyphosphate containing species RNGTT, NUDT1, MTAP BTN3A1 2702/4885FNTA 544/4885PGGT1B 2191/4885

“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.