Triphosphate

Triphosphate

SCHEMBL594275

O=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=[N+]([O-])c1ccc2[nH]ccc2c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
NOS1 P29475 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1C3 P42330 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
RAD51 Q06609 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
NPC1 O15118 2/20 0.37

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
Phosphoric Acid SCHEMBL594274 0.89 MAPT (0.47) CA1CA2MAPTPOLBMAOB
Phosphoramidic Acid SCHEMBL312721 0.86 MAPT (0.45) CA1CA2MAPTPOLBMAOB
SCHEMBL28686 0.84 MAPT (0.54) CA1CA2MAPTPOLBMAOB
SCHEMBL30597526 0.84 MAPT (0.54) CA1CA2MAPTPOLBMAOB
Ammonia Solution, Strong SCHEMBL28394313 0.82 MAPT (0.53) CA1CA2MAPTPOLBMAOB
Methane SCHEMBL27929615 0.82 MAPT (0.53) CA1CA2MAPTPOLBMAOB
Acetic Acid SCHEMBL28007455 0.79 POLB (0.48) MAPTPOLBMAOBNOS1USP2
SCHEMBL21359704 0.79 MAPT (0.46) CA1CA2MAPTPOLBMAOB
SCHEMBL2468340 0.75 CTSV (0.56) MAPTPOLBMAOBNOS1GAA
Acrylic Acid SCHEMBL29048066 0.75 MAPT (0.43) MAPTPOLBMAOBNOS1USP2

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-8981078-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-03-17 US disclosed
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 US disclosed
US-8114847-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-14 US disclosed
US-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY 2009-02-19 US disclosed
WO-2006101911-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION CASE WESTERN RESERVE UNIVERSITY (US) 2006-09-28 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-20090048202-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION REV1, PCNA, DNA2 CA1 4850/4885CA2 4805/4885MAPT 3719/4885

“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.