SCHEMBL4266759

SCHEMBL4266759

CC(C)(C)[Si](O[C@]1(C)O[C@H](CO)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.39
▸ LGALS8 O00214 1/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ TACR2 P21452 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GYPA P02724 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 1/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ GRM3 Q14832 1/20 0.30

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
SCHEMBL31124807 0.77 SLC6A2 (0.46) SLC6A2LGALS8PDPK1MTORPDE4D
SCHEMBL6559094 0.77 SLC6A2 (0.49) SLC6A2LGALS8LGALS3SLC5A1SLC5A2
SCHEMBL10148704 0.77 SLC6A2 (0.49) SLC6A2LGALS8LGALS3SLC5A1SLC5A2
SCHEMBL6559086 0.77 SLC6A2 (0.49) SLC6A2LGALS8LGALS3SLC5A1SLC5A2
SCHEMBL5688958 0.73 SLC6A2 (0.43) SLC6A2LGALS8PDPK1MTORPDE4D
SCHEMBL11981204 0.73 SLC6A2 (0.45) SLC6A2LGALS8PDE4DLGALS3SLC5A1
SCHEMBL28208353 0.73 PDPK1 (0.40) SLC6A2PDPK1MTORPDE4DTACR2
SCHEMBL7794201 0.70 SLC5A2 (0.41) SLC6A2LGALS8SSTR5SLC5A1SLC5A2
SCHEMBL8519782 0.70 BCHE (0.33) PDPK1MTORGRM2GRM3
SCHEMBL14490088 0.70 SLC6A2 (0.38) SLC6A2LGALS8TACR2SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-16 — — US disclosed
US-7541445-B2 Synthetic heparin pentasaccharides ALCHEMIA LIMITED (AU) 2009-06-02 — — US disclosed
US-20050080042-A1 synthetic monosaccharides, disaccharides, trisaccharides, tetrasaccharides and pentasaccharides for use in the preparation of synthetic heparinoids; Vascular thrombosis, cardiovascular disease DR. REDDY'S LABORATORIES, SA (CH) 2005-04-14 — — 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 (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-20050080042-A1 synthetic monosaccharides, disaccharides, trisaccharides, tetrasaccharides and pentasaccharides for use in the preparation of synthetic heparinoids; Vascular thrombosis, cardiovascular disease HPSE, DDOST, STS SLC6A2 3040/4885LGALS8 775/4885PDPK1 3033/4885
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES HPSE, SERPINC1, DDOST SLC6A2 4619/4885LGALS8 910/4885PDPK1 3823/4885

“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.

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