SCHEMBL7600427

SCHEMBL7600427

CC1(C)OB(c2ccc(-c3cc4ccc(B5OC(C)(C)C(C)(C)O5)cc4cn3)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.55
LIPG Q9Y5X9 11/20 0.55
DGAT1 O75907 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SNCA P37840 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL27349717 0.92 LIPG (0.53) LPLLIPGDGAT1NPC1RAB9A
SCHEMBL27349559 0.86 LIPG (0.53) LPLLIPGDGAT1NPC1RAB9A
SCHEMBL23018805 0.81 LIPG (0.59) LPLLIPGDGAT1SNCA
SCHEMBL9941723 0.79 LPL (0.47) LPLLIPGDGAT1SNCAIRAK4
SCHEMBL29897337 0.79 LPL (0.47) LPLLIPGDGAT1SNCAIRAK4
SCHEMBL1293460 0.79 LPL (0.62) LPLLIPGSNCAIRAK4
SCHEMBL29644319 0.79 LPL (0.62) LPLLIPGSNCAIRAK4
SCHEMBL15108959 0.79 LPL (0.43) LPLLIPGDGAT1NPC1RAB9A
SCHEMBL19106588 0.79 LIPG (0.57) LPLLIPGDGAT1NPC1RAB9A
SCHEMBL7604966 0.78 LIPG (0.52) LPLLIPGDGAT1SNCAIRAK4

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 1416/4885DGAT1 459/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885DGAT1 475/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885DGAT1 475/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885DGAT1 475/4885

“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.