SCHEMBL595618

SCHEMBL595618

O=P(O)(O)OP(=O)(O)OP(=O)(O)O[C@H]1C[C@@H](n2ccc3cc(-c4ccccc4)ccc32)O[C@@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ P2RY2 P41231 12/20 0.37
▸ P2RY4 P51582 4/20 0.37
▸ TYMS P04818 1/20 0.36
▸ RNASE1 P07998 1/20 0.35
▸ TRPM2 O94759 1/20 0.34
▸ P2RY6 Q15077 1/20 0.33
▸ DUT P33316 1/20 0.33

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
SCHEMBL595058 0.86 P2RY2 (0.47) POLBP2RY2P2RY4P2RY6
Phosphoric Acid SCHEMBL595617 0.82 TYMS (0.45) POLBTYMSDUT
SCHEMBL594778 0.78 ADK (0.45) TYMSDUT
SCHEMBL594779 0.78 ADK (0.45) TYMSDUT
SCHEMBL5323678 0.73 P2RY14 (0.51) P2RY2P2RY4P2RY6DUT
SCHEMBL29431049 0.72 DUT (0.56) P2RY2P2RY4P2RY6DUT
SCHEMBL5318914 0.71 P2RY14 (0.51) P2RY2P2RY4RNASE1P2RY6DUT
Phosphoric Acid SCHEMBL595057 0.68 LMNA (0.45) POLBP2RY2P2RY4
SCHEMBL21437348 0.67 POLB (0.61) POLBRNASE1
SCHEMBL6534888 0.67 POLB (0.61) POLBRNASE1

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 4 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

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 POLB 11/4885P2RY2 4389/4885P2RY4 4440/4885

“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.

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