SCHEMBL7601177

SCHEMBL7601177

CC1(C)OB(c2ccc(-c3ncc4cc(B5OC(C)(C)C(C)(C)O5)ccc4n3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.47
LIPG Q9Y5X9 12/20 0.47
SNCA P37840 1/20 0.44
CYP1A2 P05177 1/20 0.38
DGAT1 O75907 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
EGFR P00533 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL7605271 0.89 LPL (0.38) LPLLIPGSNCACYP1A2DGAT1
SCHEMBL400579 0.81 LIPG (0.51) LPLLIPGCYP1A2DGAT1IRAK4
SCHEMBL24744297 0.80 EGFR (0.43) LPLLIPGSNCAIRAK4EGFR
SCHEMBL21047924 0.80 LPL (0.44) LPLLIPGSNCAIRAK4EGFR
SCHEMBL31460801 0.80 LPL (0.44) LPLLIPGSNCAIRAK4EGFR
SCHEMBL20068645 0.79 LPL (0.58) LPLLIPGSNCADGAT1
SCHEMBL1368949 0.78 EGFR (0.39) LPLLIPGSNCADGAT1IRAK4
SCHEMBL16880461 0.78 SNCA (0.44) LPLLIPGSNCADGAT1IRAK4
SCHEMBL25403399 0.78 IRAK4 (0.39) LPLLIPGSNCADGAT1IRAK4
SCHEMBL29545777 0.78 EGFR (0.39) LPLLIPGSNCADGAT1IRAK4

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 13 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
EP-2373172-B1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2013-07-17 EP 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
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

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.