SCHEMBL2368037

SCHEMBL2368037

CC1(C)O[C@@H]([C@@H]2COC(C)(C)O2)[C@H]([C@@H]2COC(C)(C)O2)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.49
CA1 P00915 7/20 0.49
CA9 Q16790 3/20 0.49
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA6 P23280 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
ACHE P22303 1/20 0.32
MGAM2 Q2M2H8 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
SCHEMBL6854868 1.00 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL7155660 1.00 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL12708713 1.00 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL15678414 0.93 CA2 (0.45) CA2CA1CA9CA12CA4
SCHEMBL19130128 0.91 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL13191124 0.91 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL19145811 0.91 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL13592460 0.91 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL12047582 0.87 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL12060575 0.84 CA2 (0.39) CA2CA1CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-1994013629-A1 MANNITOL DERIVATIVES AND THEIR USE AS INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-06-23 WO 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 (3 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA2 4674/4885CA1 4852/4885CA9 4336/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA2 4674/4885CA1 4852/4885CA9 4336/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA2 4674/4885CA1 4852/4885CA9 4336/4885

“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.