SCHEMBL2006603

SCHEMBL2006603

C[C@H]1C[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
GJB2 P29033 2/20 0.37
PTPN1 P18031 2/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
PDE4D Q08499 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
FGF1 P05230 2/20 0.34
FGF2 P09038 2/20 0.34
VEGFA P15692 2/20 0.34
HPSE Q9Y251 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN11 Q06124 1/20 0.34
BCHE P06276 2/20 0.34
GJA1 P17302 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
SCHEMBL2006606 1.00 SLC6A2 (0.37) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL17148796 0.84 SLC6A2 (0.37) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL25981666 0.81 PDPK1 (0.40) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL2010882 0.80 GJB2 (0.33) SLC6A2GJB2SSTR1SSTR2SSTR4
SCHEMBL2010880 0.80 GJB2 (0.33) SLC6A2GJB2SSTR1SSTR2SSTR4
SCHEMBL8515950 0.80 SLC6A2 (0.35) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL8515951 0.80 SLC6A2 (0.35) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL2008170 0.79 SSTR1 (0.37) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL2008169 0.79 SSTR1 (0.37) SLC6A2GJB2PTPN1PDPK1MTOR
SCHEMBL8779233 0.78 SLC6A2 (0.42) SLC6A2PTPN1PDPK1MTORPDE4D

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-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2011-10-20 US disclosed
US-8026222-B2 Use of oligosaccharide compound or glycomimetic compound wherein a cyclohexane derivative is incorporated therein; treating inflammatory, vascular, and skin disorders such as diabetes, atherosclerosis, dermatitis, graft versus host disease, and lymphomas GLYCOMIMETICS, INC. (US) 2011-09-27 US disclosed
US-7964569-B2 Oligosaccharide mimetics such as {(1R,2R,3S)-2-[(6-Deoxy- alpha -L-Galactopyranosyl)Oxy]-3-Ethyl-Cyclohex-1-yl}2-O-Benzoyl-3-O-[(1S)-1-Carboxy-2-Cyclohexyl-Ethyl]- beta -D-Galactopyranoside GLYCOMIMETICS, INC. (US) 2011-06-21 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-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 SLC6A2 3382/4885GJB2 3890/4885PTPN1 2248/4885

“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.