SCHEMBL4328472

SCHEMBL4328472

CC(=O)OC1(C)[C@@H](COC(=O)c2ccccc2)OC(n2cc(F)c(=O)[nH]c2=O)[C@]1(C)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
RNASE1 P07998 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TYMS P04818 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TK1 P04183 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
PMP22 Q01453 1/20 0.35
HBB P68871 1/20 0.35
HTT P42858 1/20 0.34
P2RY6 Q15077 2/20 0.33
P2RY14 Q15391 2/20 0.33
CES2 O00748 1/20 0.33
CYP3A4 P08684 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
SCHEMBL4268345 1.00 HSP90AA1 (0.37) HSP90AA1RNASE1ALDH1A1TYMSMEN1
SCHEMBL4262842 1.00 HSP90AA1 (0.37) HSP90AA1RNASE1ALDH1A1TYMSMEN1
SCHEMBL4260728 1.00 HSP90AA1 (0.37) HSP90AA1RNASE1ALDH1A1TYMSMEN1
SCHEMBL4260798 1.00 HSP90AA1 (0.37) HSP90AA1RNASE1ALDH1A1TYMSMEN1
SCHEMBL4275804 0.91 RNASE1 (0.45) RNASE1ALDH1A1MEN1USP2POLB
SCHEMBL4268441 0.91 RNASE1 (0.45) RNASE1ALDH1A1MEN1USP2POLB
SCHEMBL4261262 0.91 RNASE1 (0.45) RNASE1ALDH1A1MEN1USP2POLB
SCHEMBL4267257 0.91 RNASE1 (0.45) RNASE1ALDH1A1MEN1USP2POLB
SCHEMBL4261563 0.91 RNASE1 (0.45) RNASE1ALDH1A1MEN1USP2POLB
SCHEMBL4268285 0.87 CYP3A4 (0.41) ALDH1A1MEN1USP2POLBKMT2A

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-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US disclosed
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-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 HSP90AA1 1824/4885RNASE1 47/4885ALDH1A1 2855/4885

“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.