SCHEMBL4773361

SCHEMBL4773361

COc1ccc(C(OC[C@@]23CCO[C@@H]([C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.42
P2RY14 Q15391 2/20 0.42
NT5E P21589 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
POLB P06746 1/20 0.41
ADORA3 P0DMS8 3/20 0.38
TYMP P19971 1/20 0.36
F2 P00734 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TMIGD3 P0DMS9 2/20 0.33
SLC6A1 P30531 2/20 0.33
EGFR P00533 1/20 0.33
ERBB3 P21860 1/20 0.33
SLC6A11 P48066 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACSS2 Q9NR19 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
SCHEMBL5992442 0.93 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4082385 0.93 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL1096600 0.93 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL19305223 0.88 TMIGD3 (0.36) ABL1RIN1ADORA3TYMPALDH1A1
SCHEMBL25630050 0.85 ABL1 (0.41) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL20394006 0.85 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4083482 0.84 P2RY6 (0.39) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL20484818 0.82 ABL1 (0.41) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL6424816 0.82 TYMP (0.43) ADORA3TYMP
SCHEMBL6878873 0.82 POLB (0.47) P2RY6P2RY14NT5EABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152009-B2 NOVEL NUCLEOSIDES AND OLIGONUCLEOTIDE ANALOGUES DAIICHI SANKYO CO LTD (JP) 2017-09-06 EP claimed
US-7314923-B2 Nucleoside and oligonucleotide analogues DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-01 US disclosed
US-20030207841-A1 Novel nucleoside and oligonucleotide analogues SANKYO COMPANY LIMITED (JP) 2003-11-06 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-20030207841-A1 Novel nucleoside and oligonucleotide analogues RNGTT, NSUN2, MTAP P2RY6 237/4885P2RY14 166/4885NT5E 203/4885

“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.