SCHEMBL9613562

SCHEMBL9613562

CC(C)(C)[C@@H]1CC[C@H](O)[C@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
EPHX1 P07099 1/20 0.32
LIPA P38571 1/20 0.31

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
SCHEMBL13154333 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL11133799 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL13644808 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL14263501 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL9613565 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL14944260 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL14263470 1.00 SLC18A3 (0.40) SLC18A3EPHX1LIPA
SCHEMBL2854115 0.84 SLC18A3 (0.30) SLC18A3
SCHEMBL20857177 0.83 SLC18A3 (0.33) SLC18A3
SCHEMBL19319183 0.83 SLC18A3 (0.33) SLC18A3

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
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2012-08-09 US disclosed
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 EP disclosed
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
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-08-21 US disclosed
US-20080161546-A1 Glycomimetic replacements for hexoses and N-acetyl hexosamines GLYCOMIMETICS, INC. (US) 2008-07-03 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 (4 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-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 SLC18A3 1632/4885EPHX1 653/4885LIPA 694/4885
US-20080161546-A1 Glycomimetic replacements for hexoses and N-acetyl hexosamines FUT6, B3GNT2, FUT5 SLC18A3 2456/4885EPHX1 3267/4885LIPA 771/4885
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 SLC18A3 2456/4885EPHX1 3267/4885LIPA 771/4885
US-20080200406-A1 Methods of use of glycomimetics with replacements for hexoses and n-acetyl hexosamines FUT6, ENGASE, FUT5 SLC18A3 1632/4885EPHX1 653/4885LIPA 694/4885

“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.