SCHEMBL203528

SCHEMBL203528

COC(=O)c1cc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)[nH]2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 3/20 0.49
NR1I2 O75469 2/20 0.49
KCNH2 Q12809 2/20 0.49
ABCB11 O95342 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
HPGDS O60760 3/20 0.45
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL18462247 1.00 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL2706096 1.00 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL18462248 0.91 PRCP (0.51) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL203648 0.91 PRCP (0.51) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL203649 0.88 PRCP (0.50) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL12175073 0.87 PRCP (0.50) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL10257868 0.87 PRCP (0.54) PRCPHPGDSHCRTR1HCRTR2
SCHEMBL15586036 0.86 PRCP (0.53) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL6126855 0.86 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2
SCHEMBL6126852 0.86 PRCP (0.49) PRCPCYP3A4CYP2C9NR1I2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
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-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-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-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

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.