SCHEMBL13374690

SCHEMBL13374690

CP(=O)(O)OP(=O)(O)CP(=O)(O)OP(C)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
PPARD Q03181 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MMP2 P08253 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDPS P14324 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15082655 0.89 CA2 (0.35) CA2PPARDKDM4EMMP2THRB
SCHEMBL13113828 0.89 KDM4E (0.45) CA2PPARDKDM4EMMP2THRB
SCHEMBL28299764 0.80 PPARD (0.41) CA2PPARDKDM4EMMP2THRB
SCHEMBL13374689 0.78 CA2 (0.35) CA2PPARDKDM4EMMP2THRB
SCHEMBL3364605 0.77
SCHEMBL12197583 0.76 PPARD (0.43) CA2PPARDFDPSCYP2C19SMN1; SMN2
SCHEMBL16286118 0.71
SCHEMBL2045368 0.71
SCHEMBL12568973 0.71
SCHEMBL14870920 0.71

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-8288545-B2 Reactive pyrophosphoric and bisphosphonic acid derivatives and methods of their use GLSYNTHESIS INC. (US) 2012-10-16 US disclosed
US-20090299048-A1 REACTIVE PYROPHOSPHORIC AND BISPHOSPHONIC ACID DERIVATIVES AND METHODS OF THEIR USE GLSYNTHESIS INC (US) 2009-12-03 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-20090299048-A1 REACTIVE PYROPHOSPHORIC AND BISPHOSPHONIC ACID DERIVATIVES AND METHODS OF THEIR USE PPA1, PPIP5K2, ITPA CA2 843/4885PPARD 2262/4885KDM4E 3415/4885

“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.