Sugi Predict

Sugi Predict / Compounds / SCHEMBL10177102

SCHEMBL10177102

SCHEMBL10177102

C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)O[C@@H]1COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ TACR2 P21452 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ GJB2 P29033 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37

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
SCHEMBL10328076 1.00 BCHE (0.50) BCHEACHETACR2LMNAHTR1A
SCHEMBL18521909 1.00 BCHE (0.50) BCHEACHETACR2LMNAHTR1A
SCHEMBL21243992 1.00 BCHE (0.50) BCHEACHETACR2LMNAHTR1A
SCHEMBL16689647 0.90 BCHE (0.46) BCHEACHETACR2LMNAHTR1A
SCHEMBL14571363 0.89 BCHE (0.54) BCHEACHETACR2LMNAHTR1A
SCHEMBL22796970 0.89 BCHE (0.54) BCHEACHETACR2LMNAHTR1A
SCHEMBL18497676 0.89 BCHE (0.54) BCHEACHETACR2LMNAHTR1A
SCHEMBL3304205 0.89 BCHE (0.54) BCHEACHETACR2LMNAHTR1A
SCHEMBL30801101 0.89 BCHE (0.54) BCHEACHETACR2LMNAHTR1A
SCHEMBL12896359 0.89 BCHE (0.54) BCHEACHETACR2LMNAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 — — US disclosed
US-8828951-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2014-09-09 — — US disclosed
US-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 — — US disclosed
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2013-01-17 — — US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 — — US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof 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 (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-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 BCHE 2267/4885ACHE 3560/4885TACR2 2146/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 BCHE 2267/4885ACHE 3560/4885TACR2 2146/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 BCHE 2267/4885ACHE 3560/4885TACR2 2146/4885

“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.