SCHEMBL4268285

SCHEMBL4268285

CC(=O)O[C@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
P2RY2 P41231 2/20 0.37
P2RY4 P51582 1/20 0.37
POLA1 P09884 1/20 0.37
NT5E P21589 1/20 0.36
CES2 O00748 1/20 0.34
DUT P33316 2/20 0.34
P2RY6 Q15077 1/20 0.33
P2RY12 Q9H244 1/20 0.33
PPM1B O75688 1/20 0.33

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
SCHEMBL4325664 1.00 CYP3A4 (0.41) CYP3A4CYP2C9POLBMEN1USP2
SCHEMBL4336395 1.00 CYP3A4 (0.41) CYP3A4CYP2C9POLBMEN1USP2
SCHEMBL4328120 1.00 CYP3A4 (0.41) CYP3A4CYP2C9POLBMEN1USP2
SCHEMBL4333827 1.00 CYP3A4 (0.41) CYP3A4CYP2C9POLBMEN1USP2
SCHEMBL4261563 0.87 RNASE1 (0.45) POLBMEN1USP2KMT2AALDH1A1
SCHEMBL4260728 0.87 HSP90AA1 (0.37) CYP3A4CYP2C9POLBMEN1USP2
SCHEMBL4275804 0.87 RNASE1 (0.45) POLBMEN1USP2KMT2AALDH1A1
SCHEMBL4260798 0.87 HSP90AA1 (0.37) CYP3A4CYP2C9POLBMEN1USP2
SCHEMBL4268441 0.87 RNASE1 (0.45) POLBMEN1USP2KMT2AALDH1A1
SCHEMBL4268345 0.87 HSP90AA1 (0.37) CYP3A4CYP2C9POLBMEN1USP2

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
US-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US claimed
WO-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 WO 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 CYP3A4 4304/4885CYP2C9 4459/4885POLB 291/4885

“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.