SCHEMBL4339161

SCHEMBL4339161

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@@H](F)[C@H]2OP(OCCSC(=O)C(C)(C)C)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.37
▸ P2RY6 Q15077 5/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ NT5E P21589 1/20 0.33
▸ P2RY2 P41231 3/20 0.31
▸ P2RY4 P51582 3/20 0.31

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
SCHEMBL10018304 0.89 TYMP (0.33) TYMP
SCHEMBL25312792 0.89 TYMP (0.36) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL1597712 0.89 TYMP (0.36) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL10049740 0.88 TYMP (0.32) TYMP
SCHEMBL13882838 0.86 P2RY6 (0.35) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL10049844 0.85 TYMP (0.34) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL4345631 0.85 TYMP (0.36) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL10049882 0.84 TYMP (0.34) TYMPP2RY6P2RY14
SCHEMBL30702563 0.84 P2RY6 (0.39) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL18787582 0.84 TYMP (0.36) TYMPP2RY6P2RY14NT5EP2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093425-A1 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-09 — — 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-20090093425-A1 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS NSUN3, POLRMT, NSUN2 TYMP 219/4885P2RY6 2377/4885P2RY14 3981/4885

“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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