SCHEMBL4326565

SCHEMBL4326565

CCCC(=O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@]1(C)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 3/20 0.42
P2RY4 P51582 2/20 0.42
POLA1 P09884 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
P2RY6 Q15077 4/20 0.35
P2RY14 Q15391 3/20 0.35
NT5E P21589 1/20 0.35
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
DUT P33316 1/20 0.35
ENTPD2 Q9Y5L3 1/20 0.35
P2RY1 P47900 1/20 0.35

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
SCHEMBL4337320 1.00 P2RY2 (0.42) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4329094 1.00 P2RY2 (0.42) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4260632 1.00 P2RY2 (0.42) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4338692 1.00 P2RY2 (0.42) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4270302 0.94 P2RY2 (0.41) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4338799 0.94 P2RY2 (0.41) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4326577 0.94 P2RY2 (0.41) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4265870 0.94 P2RY2 (0.41) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4319373 0.94 P2RY2 (0.41) P2RY2P2RY4POLA1CYP3A4CYP2C9
SCHEMBL4268257 0.87 CYP3A4 (0.43) P2RY2P2RY4POLA1CYP3A4CYP2C9

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-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US claimed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 US claimed
US-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US disclosed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 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-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES ENTPD5, PNP, ENTPD1 P2RY2 377/4885P2RY4 301/4885POLA1 437/4885

“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.