SCHEMBL1983558

SCHEMBL1983558

CC1(C)OB(c2ccc(-c3ccc(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)n3-c3ccc(C4CCCCC4)cc3)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
LPL P06858 11/20 0.41
LIPG Q9Y5X9 11/20 0.41
NOTUM Q6P988 2/20 0.34
DGAT1 O75907 1/20 0.33
F11 P03951 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL2388057 0.86 HIF1A (0.41) HIF1ALPLLIPGNOTUMDGAT1
SCHEMBL5818521 0.84 HIF1A (0.51) HIF1ALPLLIPGNOTUMF11
SCHEMBL3136657 0.83 HIF1A (0.49) HIF1ALPLLIPGF11CA1
SCHEMBL3708268 0.80 LPL (0.49) HIF1ALPLLIPGF11CA1
SCHEMBL31222864 0.77 SLC18A3 (0.54) HIF1ALPLLIPG
SCHEMBL14804365 0.77 LPL (0.52) HIF1ALPLLIPGF11CA1
SCHEMBL16112310 0.77 LPL (0.52) HIF1ALPLLIPGF11CA1
SCHEMBL240089 0.76 LIPG (0.46) HIF1ALPLLIPGF11CA1
SCHEMBL31222936 0.76 SLC18A3 (0.51) HIF1ALPLLIPG
SCHEMBL1983050 0.74 NPC1 (0.39) NOTUMSMN1; SMN2HSP90AA1GAAMAPT

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 15 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
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 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-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 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 HIF1A 1619/4885LPL 1419/4885LIPG 768/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HIF1A 1619/4885LPL 1419/4885LIPG 768/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HIF1A 1619/4885LPL 1419/4885LIPG 768/4885

“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.