SCHEMBL4330368

SCHEMBL4330368

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
P2RY2 P41231 5/20 0.42
P2RY4 P51582 2/20 0.42
POLA1 P09884 1/20 0.40
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
NT5E P21589 1/20 0.35
DUT P33316 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RY6 Q15077 4/20 0.35
P2RY14 Q15391 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
SCHEMBL4268257 1.00 CYP3A4 (0.43) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4323980 1.00 CYP3A4 (0.43) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4336305 1.00 CYP3A4 (0.43) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4331144 1.00 CYP3A4 (0.43) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4337320 0.87 P2RY2 (0.42) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4260632 0.87 P2RY2 (0.42) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4338692 0.87 P2RY2 (0.42) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4326565 0.87 P2RY2 (0.42) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4329094 0.87 P2RY2 (0.42) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL4319373 0.85 P2RY2 (0.41) CYP3A4CYP2C9P2RY2P2RY4POLA1

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
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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 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
US-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 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 (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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 CYP3A4 370/4885CYP2C9 395/4885P2RY2 411/4885
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES ENTPD5, PNP, ENTPD1 CYP3A4 4304/4885CYP2C9 4459/4885P2RY2 377/4885

“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.