SCHEMBL2707393

SCHEMBL2707393

COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CCc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)cc2)cc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
CYP2C9 P11712 8/20 0.52
CYP3A4 P08684 7/20 0.52
CYP2C19 P33261 6/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 2/20 0.52
ELANE P08246 6/20 0.51
CMA1 P23946 2/20 0.49
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL18462724 1.00 KCNH2 (0.58) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL204846 1.00 KCNH2 (0.58) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL13071007 0.94 KCNH2 (0.53) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL13125139 0.91 KCNH2 (0.58) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL17490819 0.91 KCNH2 (0.70) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL18648212 0.91 KCNH2 (0.70) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL17490823 0.91 KCNH2 (0.70) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL751369 0.90 KCNH2 (0.49) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL15127355 0.90 KCNH2 (0.60) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL12599560 0.89 KCNH2 (0.54) KCNH2CYP2C9CYP3A4CYP2C19CYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 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
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-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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-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 (7 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 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4228/4885CYP2C9 3296/4885CYP3A4 1770/4885

“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.