Sugi Predict

Sugi Predict / Compounds / SCHEMBL19782345

SCHEMBL19782345

SCHEMBL19782345

C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)NCC(=O)O)[C@@H]2CC[C@]1(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 1/20 0.50
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN1 P18031 9/20 0.36
▸ F3 P13726 3/20 0.35
▸ PTPN2 P17706 5/20 0.33
▸ F10 P00742 3/20 0.33
▸ XDH P47989 1/20 0.33
▸ CDC25B P30305 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
SCHEMBL19782429 0.90 SELP (0.49) SELPATML3MBTL1PTPN1F3
SCHEMBL16133597 0.87 SELP (0.51) SELPATMPTPN1F3F10
SCHEMBL19770030 0.87 SELP (0.51) SELPATML3MBTL1PTPN1F3
SCHEMBL26228622 0.84 SELP (0.48) SELPATMPTPN1F3PTPN2
SCHEMBL22387901 0.84 SELP (0.48) SELPATMPTPN1F3F10
SCHEMBL19769980 0.84 SELP (0.48) SELPATML3MBTL1PTPN1F3
SCHEMBL27439470 0.84 SELP (0.47) SELPATMPTPN1F3PTPN2
SCHEMBL22387789 0.84 PTPN1 (0.52) SELPATMPTPN1F3F10
SCHEMBL24390996 0.83 SELP (0.46) SELPATMPTPN1F3F10
SCHEMBL25806234 0.82 PTPN1 (0.45) SELPATMPTPN1F3F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016291-A1 Rebaudioside Analogs PEPSICO, INC. 2018-01-18 — — 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-20180016291-A1 Rebaudioside Analogs SLC5A1, TAS1R1, FBP1 SELP 2255/4885ATM 1851/4885L3MBTL1 2417/4885

“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.