SCHEMBL13598729

SCHEMBL13598729

CC(=O)OC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)C(C)(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRMT5 O14744 7/20 0.37
▸ WDR77 Q9BQA1 7/20 0.37
▸ XDH P47989 1/20 0.36
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ NNMT P40261 6/20 0.33
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4011551 1.00 ALDH1A1 (0.38) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL14081718 0.89 PRMT5 (0.45) PRMT5WDR77
SCHEMBL4016824 0.89 PRMT5 (0.45) PRMT5WDR77
SCHEMBL1737262 0.87 XDH (0.39) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13650024 0.84 ALDH1A1 (0.36) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4020271 0.80 ALDH1A1 (0.35) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13598728 0.80 ALDH1A1 (0.35) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL30004448 0.78 PRMT5 (0.41) PRMT5WDR77
SCHEMBL21683024 0.78 PRMT5 (0.41) PRMT5WDR77
SCHEMBL21683022 0.78 PRMT5 (0.41) PRMT5WDR77

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
US-7629328-B2 Nucleoside derivatives for treating hepatitis C virus infection SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-20090036399-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. 2009-02-05 — — US disclosed
US-7432248-B2 Nucleoside derivatives for treating Hepatitis C virus infection GENELABS TECHNOLOGIES, INC. (US) 2008-10-07 — — 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-20090036399-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION HAVCR2, PNP, NSUN2 ALDH1A1 344/4885LMNA 1332/4885TP53 2260/4885

“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.

Send feedback