SCHEMBL1987154

SCHEMBL1987154

CC1(C)O[C@H]([C@@H](O)COCc2ccccc2)[C@H](CO)O1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
PDE4D Q08499 2/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL10564679 1.00 HTT (0.54) HTTCA1CA2CA7CA9
SCHEMBL13595480 1.00 HTT (0.54) HTTCA1CA2CA7CA9
SCHEMBL7451566 0.89 HTT (0.58) HTTCA1CA2CA7CA9
SCHEMBL4551396 0.89 HTT (0.42) HTTCA1CA2CA7CA9
SCHEMBL7450571 0.87 HTT (0.53) HTTCA1CA2CA7CA9
SCHEMBL12136563 0.84 HTT (0.41) HTTCA1CA2CA7CA9
SCHEMBL4552159 0.82 HTT (0.41) HTTKMT2APDE4DMAPK1TSHR
SCHEMBL12858801 0.81 SLC6A2 (0.40) HTTPDE4D
SCHEMBL7448869 0.81 HTT (0.50) HTTCA1CA2CA7CA9
SCHEMBL7976000 0.81 HTT (0.50) HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005991-A1 INTERMEDIATES OF 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES LIBRAMEDICINA, INC. (JP) 2013-01-03 US claimed
EP-2388257-A1 Process for preparing substituted 1-O-acyl-2-deoxy-2-fluoro-4-thio-ß-D-arabinofuranoses LibraMedicina, Inc. (JP) 2011-11-23 EP claimed
US-20110152542-A1 PROCESS FOR PREPARING SUBSTITUTED 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES LIBRAMEDICINA, INC. (JP) 2011-06-23 US claimed
EP-2799432-B1 Process for preparing substituted 1-O-acyl-2-deoxy-2-fluoro-4-thio-beta-D-arabinofuranoses LIBRAMEDICINA INC (JP) 2016-09-21 EP disclosed
EP-2513081-B1 PROCESS FOR PREPARING SUBSTITUTED 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSES LIBRAMEDICINA INC (JP) 2015-07-08 EP disclosed
EP-2799432-A1 Process for preparing substituted 1-O-acyl-2-deoxy-2-fluoro-4-thio-beta-D-arabinofuranoses Libramedicina, Inc. (JP) 2014-11-05 EP disclosed
US-8420831-B2 Intermediates of 1-O-acyl-2-deoxy-2-fluoro-4-thio-beta-D-arabinofuranoses LIBRAMEDICINA, INC. (JP) 2013-04-16 US disclosed
US-20130005991-A1 INTERMEDIATES OF 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES LIBRAMEDICINA, INC. (JP) 2013-01-03 US disclosed
US-8329925-B2 Process for preparing substituted 1-O-acyl-2-deoxy-2-fluoro-4-thio-beta-D-arabinofuranoses LIBRAMEDICINA, INC. (JP) 2012-12-11 US disclosed
EP-2388257-A1 Process for preparing substituted 1-O-acyl-2-deoxy-2-fluoro-4-thio-ß-D-arabinofuranoses LibraMedicina, Inc. (JP) 2011-11-23 EP disclosed
US-20110152542-A1 PROCESS FOR PREPARING SUBSTITUTED 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES LIBRAMEDICINA, INC. (JP) 2011-06-23 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-20130005991-A1 INTERMEDIATES OF 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES PFAS, AFF1, FUT6 HTT 3573/4885CA1 1756/4885CA2 3951/4885
US-20110152542-A1 PROCESS FOR PREPARING SUBSTITUTED 1-O-ACYL-2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSES PFAS, FUCA2, UGT1A6 HTT 3791/4885CA1 1785/4885CA2 4003/4885

“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.