SCHEMBL16587496

SCHEMBL16587496

CC(=O)c1c[nH]c(CO)c(OCc2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MDH2 P40926 1/20 0.44
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.39
KCNA2 P16389 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNA1 Q09470 1/20 0.39
KCNA3 P22001 1/20 0.38

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
SCHEMBL12993083 0.88 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1HPGDMDH2
SCHEMBL23017405 0.87 PARP10 (0.46) SMN1; SMN2ALDH1A1HPGDMDH2POLB
SCHEMBL18567041 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL16587510 0.83 ALDH1A1 (0.47) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL16437764 0.83 POLB (0.49) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL16587506 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL19853588 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDMDH2POLB
SCHEMBL10208483 0.74 MAPT (0.55) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL18473801 0.74 KCNA5 (0.52) SMN1; SMN2MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL5264504 0.73 MAPK14 (0.45) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 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 (2 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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 SMN1; SMN2 4304/4885MAPT 4568/4885CYP2C9 1404/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 SMN1; SMN2 4304/4885MAPT 4568/4885CYP2C9 1404/4885

“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.