SCHEMBL16625434

SCHEMBL16625434

BCCNCCP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.43
S1PR1 P21453 9/20 0.43
S1PR3 Q99500 9/20 0.43
S1PR4 O95977 8/20 0.43
S1PR5 Q9H228 1/20 0.43
TYMS P04818 1/20 0.41
ANPEP P15144 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL4966489 0.86 TYMS (0.53) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL2045907 0.76 S1PR2 (0.45) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL1479560 0.74 LMNA (0.59) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595395 0.74 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL17833159 0.74 S1PR2 (0.43) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL9792362 0.74 TYMS (0.48) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL19146462 0.72
SCHEMBL8768407 0.72
Hydrochloric Acid SCHEMBL5985877 0.72 S1PR2 (0.57) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL26037359 0.72 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847201-B1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS UNIV QUEENSLAND (AU) 2017-08-16 EP disclosed
US-9200020-B2 6-oxopurine phosphoribosyltransferase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-9200020-B2 6-oxopurine phosphoribosyltransferase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-09 US disclosed
US-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-09 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-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS HPRT1, APRT, TPMT S1PR2 2809/4885S1PR1 2726/4885S1PR3 2573/4885

“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.