SCHEMBL6126830

SCHEMBL6126830

CC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 3/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
SSTR3 P32745 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PRCP P42785 6/20 0.40
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC1 Q13547 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL883169 1.00 HPGDS (0.46) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL11982042 0.94 HPGDS (0.48) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12147920 0.94 HPGDS (0.48) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16907949 0.91 HPGDS (0.42) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL17249887 0.91 HPGDS (0.42) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1293419 0.91 HPGDS (0.42) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1293420 0.91 HPGDS (0.42) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15368521 0.88 HPGDS (0.44) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL9980354 0.88 HPGDS (0.44) HPGDSCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12160048 0.87 HPGDS (0.44) HPGDSCYP3A4CYP2C9NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-9079887-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
EP-2852587-A1 ANTIVIRAL COMPOUNDS WITH AN IMIDAZOLE - BIPHENYL - IMIDAZOLE CORE Gilead Sciences, Inc. (US) 2015-04-01 EP disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2013173492-A1 ANTIVIRAL COMPOUNDS WITH AN IMIDAZOLE - BIPHENYL - IMIDAZOLE CORE GILEAD SCIENCES, INC. (US) 2013-11-21 WO disclosed
US-20130309195-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-11-21 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
WO-2013095275-A1 NOVEL HEPATITIS C VIRUS INHIBITORS MEDIVIR AB (SE) 2013-06-27 WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 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 (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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20130309195-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 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.