Sugi Predict

Sugi Predict / Compounds / SCHEMBL2708053

SCHEMBL2708053

SCHEMBL2708053

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.44
▸ CYP3A4 P08684 5/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ PRCP P42785 4/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ SSTR3 P32745 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL203943 1.00 HPGDS (0.44) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12160033 1.00 HPGDS (0.44) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19323292 1.00 HPGDS (0.44) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12160023 0.94 CYP3A4 (0.46) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12159986 0.94 CYP3A4 (0.46) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12328347 0.92 HPGDS (0.44) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1317926 0.90 CYP2C9 (0.45) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL13087688 0.90 HPGDS (0.44) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1317924 0.90 CYP2C9 (0.45) HPGDSCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL8749965 0.90 HPGDS (0.44) HPGDSCYP3A4CYP2C9KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
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-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 — — EP disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGDS 582/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGDS 582/4885CYP3A4 1107/4885CYP2C9 2585/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885CYP3A4 1107/4885CYP2C9 2585/4885

“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.