SCHEMBL2623802

SCHEMBL2623802

CC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C(OC(C)=O)C1OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
P2RY2 P41231 5/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
P2RY12 Q9H244 3/20 0.44
SLC28A1 O00337 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC29A1 Q99808 1/20 0.44
SLC28A3 Q9HAS3 1/20 0.44
GAPDH P04406 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
P2RY6 Q15077 4/20 0.41
P2RY14 Q15391 1/20 0.41
RNASE1 P07998 1/20 0.40

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
SCHEMBL29308562 0.92 MEN1 (0.52) MEN1USP2POLBKMT2AP2RY2
SCHEMBL532526 0.91 MEN1 (0.67) MEN1USP2POLBKMT2AP2RY2
SCHEMBL12755327 0.91 MEN1 (0.67) MEN1USP2POLBKMT2AP2RY2
SCHEMBL532527 0.91 MEN1 (0.67) MEN1USP2POLBKMT2AP2RY2
SCHEMBL12352444 0.91 MEN1 (0.67) MEN1USP2POLBKMT2AP2RY2
SCHEMBL13018205 0.91 SLC28A1 (0.52) P2RY2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL15276409 0.91 SLC28A1 (0.52) P2RY2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL15497392 0.91 SLC28A1 (0.52) P2RY2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL16452370 0.91 SLC28A1 (0.52) P2RY2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL18852608 0.91 SLC28A1 (0.52) P2RY2LMNATHRBSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158606-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies NOVARTIS, AG (CH) 2012-04-17 US disclosed
US-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2011-07-14 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-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES SLC28A2, SLC29A2, PNP MEN1 2522/4885USP2 2311/4885POLB 66/4885

“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.