SCHEMBL3359002

SCHEMBL3359002

Cc1ncccc1P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
FDPS P14324 6/20 0.42
PTK2B Q14289 3/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
ALPG P10696 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25791687 0.81 P2RX7 (0.43) P2RX7FDPSNPC1MKNK1MKNK2
SCHEMBL2595451 0.78 TDP1 (0.43) FDPSPTK2BNPC1POLBALDH1A1
SCHEMBL156347 0.77 NPC1 (0.40) FDPSPTK2BNPC1POLBALDH1A1
Phosphoric Acid SCHEMBL29144200 0.77 FDPS (0.51) P2RX7FDPSNPC1MKNK1MKNK2
SCHEMBL24782528 0.73 P2RX7 (0.38) P2RX7FDPSNPC1MKNK1MKNK2
SCHEMBL10040004 0.71 KDM4E (0.48) POLBALDH1A1L3MBTL1KDM4ELMNA
Hydrochloric Acid SCHEMBL9601743 0.71 KDM4E (0.53) PTK2BALDH1A1ALPGL3MBTL1KDM4E
Phosphoric Acid SCHEMBL27914386 0.70 FDPS (0.47) P2RX7FDPSALDH1A1L3MBTL1LMNA
SCHEMBL2173729 0.69 CA2 (0.55) FDPSPTK2BNPC1POLBALDH1A1
SCHEMBL29733396 0.69 CA2 (0.55) FDPSPTK2BNPC1POLBALDH1A1

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
US-7709465-B2 Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-04 US disclosed
CN-101489380-A Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers UNIV ILLINOIS (US) 2009-07-22 CN disclosed
EP-2034828-A2 PHOSPHOROUS CONTAINING COMPOUNDS INCLUDING TRIPHENYLMETHYLPHOSPHONATE ESTERS FOR THE TREATMENT OF MELANOMA AND OTHER CANCERS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-03-18 EP disclosed
US-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-01 US disclosed
WO-2007137200-A2 PHOSPHOROUS CONTAINING COMPOUNDS INCLUDING TRIPHENYLMETHYLPHOSPHONATE ESTERS FOR THE TREATMENT OF MELANOMA AND OTHER CANCERS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 WO 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-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers PHOSPHO1, MCL1, MTMR1 P2RX7 1907/4885FDPS 1636/4885PTK2B 437/4885

“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.