SCHEMBL2707511

SCHEMBL2707511

CC(C)(C)OC(=O)Nc1cccc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)OCc4ccccc4)[nH]3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.54
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
KCNH2 Q12809 2/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP1A2 P05177 2/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
MGLL Q99685 1/20 0.44
HPGDS O60760 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL205205 1.00 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL205196 0.93 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL2709131 0.93 PRCP (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL10076571 0.88 PRCP (0.59) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL10223079 0.86 PRCP (0.44) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL6126817 0.86 PRCP (0.55) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL7604141 0.86 PRCP (0.55) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12160098 0.85 PRCP (0.61) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12174996 0.85 PRCP (0.61) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12160053 0.85 PRCP (0.61) PRCPCYP3A4CYP2C9KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 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-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 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-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-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-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 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885

“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.