SCHEMBL564404

SCHEMBL564404

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(Oc2cccc(C(=O)COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
UCHL1 P09936 2/20 0.45
FKBP1A P62942 2/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KLK7 P49862 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP30 Q70CQ3 1/20 0.42
PARP10 Q53GL7 2/20 0.42
POLB P06746 1/20 0.42
PARP14 Q460N5 1/20 0.41

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
SCHEMBL204107 1.00 NPC1 (0.46) NPC1HRH2HRH1UCHL1FKBP1A
SCHEMBL697178 0.95 NPC1 (0.50) NPC1HRH2HRH1UCHL1FKBP1A
SCHEMBL203942 0.92 NPC1 (0.52) NPC1HRH2HRH1UCHL1EPHX2
SCHEMBL2706083 0.92 NPC1 (0.52) NPC1HRH2HRH1UCHL1EPHX2
SCHEMBL15481363 0.91 NPC1 (0.41) NPC1HRH2HRH1UCHL1FKBP1A
SCHEMBL15848456 0.87 KLK7 (0.53) NPC1UCHL1FKBP1AEPHX2MEN1
SCHEMBL4955279 0.87 KLK7 (0.53) NPC1UCHL1FKBP1AEPHX2MEN1
SCHEMBL15848455 0.87 KLK7 (0.53) NPC1UCHL1FKBP1AEPHX2MEN1
SCHEMBL15854362 0.86 NPC1 (0.50) NPC1HRH2HRH1UCHL1FKBP1A
SCHEMBL15848289 0.86 NPC1 (0.50) NPC1HRH2HRH1UCHL1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US 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 (5 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885HRH2 3901/4885HRH1 3197/4885
US-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 NPC1 62/4885HRH2 4267/4885HRH1 3868/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885HRH2 3901/4885HRH1 3197/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885HRH2 3901/4885HRH1 3197/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPC1 516/4885HRH2 3901/4885HRH1 3197/4885

“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.