SCHEMBL204609

SCHEMBL204609

O=C(O)CNC(=O)OCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.40
MGLL Q99685 2/20 0.39
PTGIR P43119 1/20 0.39
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
BBOX1 O75936 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
CYP2D6 P10635 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
EPHX1 P07099 4/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL206033 0.91 PTGIR (0.45) LMNAALDH1A1PTGIRSLC1A3SLC1A2
SCHEMBL15165818 0.84 LMNA (0.45) LMNAALDH1A1MGLLSLC1A3SLC1A2
SCHEMBL24245461 0.84 LMNA (0.45) LMNAALDH1A1MGLLSLC1A3SLC1A2
SCHEMBL393242 0.80 LMNA (0.41) LMNAALDH1A1BBOX1ASPHKDM8
SCHEMBL8393585 0.80 EPHX1 (0.58) LMNAALDH1A1MGLLEPHX1NAAA
SCHEMBL8392638 0.80 EPHX1 (0.58) LMNAALDH1A1MGLLEPHX1NAAA
SCHEMBL390378 0.78 LMNA (0.39) LMNAALDH1A1EPHX1
SCHEMBL8393587 0.78 EPHX1 (0.55) LMNAALDH1A1MGLLEPHX1NAAA
SCHEMBL20844590 0.77 LMNA (0.52) LMNAMGLLPTGIRSLC1A3SLC1A2
SCHEMBL17550878 0.76 LMNA (0.47) LMNAMGLLHDAC3HDAC1HDAC2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8030307-B2 Bicyclic, C5-substituted proline derivatives as inhibitors of the hepatitis C virus NS3 protease ENANTA PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
US-20090180983-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009070689-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 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 (6 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-20090180983-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE PREP, PRSS1, PPIC LMNA 2046/4885ALDH1A1 869/4885MGLL 1685/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885ALDH1A1 3957/4885MGLL 2393/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885ALDH1A1 3957/4885MGLL 2393/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885ALDH1A1 3957/4885MGLL 2393/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885ALDH1A1 3957/4885MGLL 2393/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885ALDH1A1 3957/4885MGLL 2393/4885

“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.