SCHEMBL7601941

SCHEMBL7601941

CC1(C)OB(c2ccc(-c3cnc4ccc(B5OC(C)(C)C(C)(C)O5)cc4n3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.47
LIPG Q9Y5X9 8/20 0.47
SNCA P37840 1/20 0.44
DGAT1 O75907 1/20 0.42
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
BCHE P06276 1/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7603285 0.94 LPL (0.47) LPLLIPGSNCADGAT1NPC1
SCHEMBL15109046 0.91 LPL (0.44) LPLLIPGSNCADGAT1NPC1
SCHEMBL31503579 0.86 TLR9 (0.52) LPLLIPGDGAT1NPC1SMN1; SMN2
SCHEMBL3087464 0.84 FGFR3 (0.59) KDRFLT3
SCHEMBL1817315 0.81 IRAK4 (0.47) LPLLIPGSNCA
SCHEMBL23018805 0.80 LIPG (0.59) LPLLIPGSNCADGAT1
SCHEMBL1814466 0.80 ALDH1A1 (0.44) LPLLIPGSNCAALDH1A1
SCHEMBL1816450 0.80 LPL (0.44) LPLLIPGSNCA
SCHEMBL7604966 0.80 LIPG (0.52) LPLLIPGSNCADGAT1
SCHEMBL14022001 0.80 LPL (0.39) LPLLIPGSNCAPDGFRBKDR

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
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2682393-A1 Inhibitors of HCV NS5A comprising a bicyclic core. Presidio Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
WO-2010065674-A9 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-31 WO disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065674-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 437/4885LIPG 1416/4885SNCA 2883/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885SNCA 2950/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885SNCA 2950/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885SNCA 2950/4885

“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.