Sugi Predict

Sugi Predict / Compounds / SCHEMBL3198135

SCHEMBL3198135

SCHEMBL3198135

COC(=O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ KLK5 Q9Y337 2/20 0.38
▸ CTSK P43235 5/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 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
SCHEMBL15215101 0.85 CA1 (0.49) CA1CA2CA7KLK5CTSK
SCHEMBL16638818 0.85 CA1 (0.49) CA1CA2CA7KLK5CTSK
SCHEMBL2497438 0.85 CA1 (0.49) CA1CA2CA7KLK5CTSK
SCHEMBL16317020 0.83 CA1 (0.58) CA1CA2CA7CTSKCYP2D6
SCHEMBL26748578 0.82 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL3617062 0.82 CTSK (0.41) CA1CA2CA7KLK5CTSK
SCHEMBL4745237 0.82 CTSK (0.41) CA1CA2CA7KLK5CTSK
SCHEMBL3617063 0.82 CTSK (0.41) CA1CA2CA7KLK5CTSK
SCHEMBL14445104 0.82 CYP2D6 (0.46) CA1CA2CA7KLK5CYP2D6
SCHEMBL12191651 0.81 CA1 (0.48) CA1CA2CA7CTSKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397370-B1 BETA-BENZYLOXYASPARTATE DERIVATIVES WITH AMINO GROUP ON BENZENE RING SUNTORY HOLDINGS LTD (JP) 2014-07-23 — — EP disclosed
US-7666906-B2 β-Benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2010-02-23 — — US disclosed
US-7666906-B2 β-Benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2010-02-23 — — US disclosed
US-20070238783-A1 Beta-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2007-10-11 — — US disclosed
US-20070238783-A1 Beta-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2007-10-11 — — US disclosed
US-7247652-B2 β-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY LIMITED (JP) 2007-07-24 — — US disclosed
US-20040242652-A1 Beta benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LTD. (JP) 2004-12-02 — — 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-20070238783-A1 Beta-benzyloxyaspartate derivatives with amino group on benzene ring SLC1A5, SLC7A1, SLC1A1 CA1 3337/4885CA2 3566/4885CA7 4279/4885
US-20040242652-A1 Beta benzyloxyaspartate derivatives with amino group on benzene ring SLC1A5, SLC1A1, SLC7A1 CA1 2948/4885CA2 3563/4885CA7 4107/4885

“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.