SCHEMBL5086175

SCHEMBL5086175

C#CC[C@]1(n2ccc(N)nc2=O)C[C@H](O)[C@@H](C(N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.43
POLB P06746 1/20 0.36
P2RY6 Q15077 7/20 0.34
P2RY2 P41231 4/20 0.34
P2RY4 P51582 3/20 0.34
NT5E P21589 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
SCHEMBL5708922 0.83 POLG (0.48) POLGPOLBP2RY6P2RY2P2RY4
SCHEMBL5615382 0.82 NT5E (0.34) POLBNT5E
SCHEMBL6914072 0.75 POLG (0.62) POLGPOLBP2RY6P2RY2P2RY4
SCHEMBL28805006 0.74 PDE3A (0.43) POLB
SCHEMBL6038233 0.74 POLG (0.50) POLGPOLBP2RY6P2RY2P2RY4
SCHEMBL10900419 0.72 POLG (0.49) POLGPOLBP2RY6P2RY2P2RY4
SCHEMBL597307 0.72 POLG (0.49) POLGPOLBP2RY6P2RY2P2RY4
SCHEMBL30134674 0.71 POLG (0.46) POLGPOLBP2RY6P2RY2P2RY4
SCHEMBL886859 0.70 POLG (0.41) POLGP2RY6P2RY2P2RY4
SCHEMBL6672414 0.70 POLG (0.56) POLGP2RY6P2RY2P2RY4NT5E

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
EP-1678329-A4 PRENATAL DIAGNOSIS USING CELL-FREE FETAL DNA IN AMNIOTIC FLUID TUFTS NEW ENGLAND MEDICAL CT (US) 2008-07-02 EP disclosed
US-20070212689-A1 Prenatal Diagnosis Using Cell-Free Fetal DNA in Amniotic Fluid NATIONAL INSTITUTES OF HEALTH 2007-09-13 US disclosed
US-20070111233-A1 Prenatal diagnosis using cell-free fetal DNA in amniotic fluid NATIONAL INSTITUTES OF HEALTH 2007-05-17 US disclosed
EP-1678329-A2 PRENATAL DIAGNOSIS USING CELL-FREE FETAL DNA IN AMNIOTIC FLUID Tufts-New England Medical Center (US) 2006-07-12 EP disclosed
WO-2005044086-A2 PRENATAL DIAGNOSIS USING CELL-FREE FETAL DNA IN AMNIOTIC FLUID TUFTS-NEW ENGLAND MEDICAL CENTER (US) 2005-05-19 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-20070111233-A1 Prenatal diagnosis using cell-free fetal DNA in amniotic fluid BOD1L1, SMCHD1, ALPP POLG 1437/4885POLB 574/4885P2RY6 4149/4885

“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.