SCHEMBL19334673

SCHEMBL19334673

COC(=O)C(NC(=O)OCC(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BIRC2 Q13490 1/20 0.39

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
SCHEMBL7420736 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL15148112 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL6899801 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAPTHSD17B10TSHRGAA
SCHEMBL18526736 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL5551988 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHSD17B10TSHRALDH1A1
SCHEMBL5551991 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHSD17B10TSHRALDH1A1
SCHEMBL27668713 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHSD17B10TSHRCYP2C9
SCHEMBL27668711 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHSD17B10TSHRCYP2C9
SCHEMBL16587941 0.82 CA12 (0.47) SMN1; SMN2CA12CA14CA7CA9
SCHEMBL18686187 0.82 CA12 (0.47) SMN1; SMN2CA12CA14CA7CA9

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-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 SMN1; SMN2 4304/4885CA12 2867/4885CA14 1288/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 SMN1; SMN2 4365/4885CA12 2652/4885CA14 1138/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 SMN1; SMN2 4304/4885CA12 2867/4885CA14 1288/4885

“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.