SCHEMBL4058981

SCHEMBL4058981

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 7/20 0.77
▸ TP53 P04637 2/20 0.75
▸ PAX8 Q06710 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ ADORA3 P0DMS8 2/20 0.75
▸ SLC29A1 Q99808 1/20 0.75
▸ MITF O75030 1/20 0.75
▸ LMNA P02545 1/20 0.75
▸ P2RX3 P56373 3/20 0.67
▸ P2RX2 Q9UBL9 3/20 0.67
▸ NT5E P21589 2/20 0.66
▸ P2RY12 Q9H244 2/20 0.65
▸ TAS1R3 Q7RTX0 2/20 0.64
▸ TAS1R1 Q7RTX1 2/20 0.64
▸ ADORA1 P30542 2/20 0.62
▸ P2RY2 P41231 2/20 0.62
▸ P2RY1 P47900 2/20 0.62
▸ PRKAB2 O43741 1/20 0.62
▸ TRPM2 O94759 1/20 0.62
▸ LDHA P00338 1/20 0.62

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
SCHEMBL21058281 0.90 P2RX3 (0.70) DNPH1TP53PAX8SMN1; SMN2ADORA3
SCHEMBL218999 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL17022278 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL13957724 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL29564113 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL23440101 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL13972003 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL14700471 0.87 DNPH1 (1.00) DNPH1TP53ADORA3SLC29A1P2RX3
SCHEMBL32662533 0.87 ADORA3 (0.75) DNPH1TP53PAX8SMN1; SMN2ADORA3
Kinetin Riboside SCHEMBL217034 0.86 ADORA3 (1.00) TP53PAX8SMN1; SMN2ADORA3SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 — — EP claimed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 — — US disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 — — US disclosed
EP-2026810-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM Prendergast, Patrick T. (AU) 2009-02-25 — — EP disclosed
WO-2007131973-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM PRENDERGAST PATRICK T (AU) 2007-11-22 — — WO disclosed
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 — — EP 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 (2 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-20090156546-A1 Compositions and methods for modulating the immune system MRE11, XPA, MPL DNPH1 1551/4885TP53 201/4885PAX8 1325/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL DNPH1 1551/4885TP53 201/4885PAX8 1325/4885

“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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