SCHEMBL2011594

SCHEMBL2011594

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](C)C[C@@H](CCl)C[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL2011597 1.00 GJB2 (0.32) GJB2SLC6A2
SCHEMBL2010882 0.89 GJB2 (0.33) GJB2SLC6A2
SCHEMBL2010880 0.89 GJB2 (0.33) GJB2SLC6A2
SCHEMBL22821467 0.81 SLC6A2 (0.34) GJB2SLC6A2
SCHEMBL13424419 0.78 BCHE (0.38)
SCHEMBL22050895 0.76 PTPN1 (0.34) GJB2
SCHEMBL11982079 0.74 GJB2 (0.31) GJB2
SCHEMBL2006606 0.71 SLC6A2 (0.37) GJB2SLC6A2
SCHEMBL2006603 0.71 SLC6A2 (0.37) GJB2SLC6A2
SCHEMBL20966554 0.69 SLC6A2 (0.43) GJB2SLC6A2

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 GJB2 3890/4885SLC6A2 3382/4885

“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.