Sugi Predict

Sugi Predict / Compounds / SCHEMBL45280

SCHEMBL45280

SCHEMBL45280

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(Br)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HPGDS O60760 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PRCP P42785 2/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL45250 1.00 UCHL1 (0.44) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL2711186 1.00 UCHL1 (0.44) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL23247493 0.96 UCHL1 (0.41) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL18829051 0.96 UCHL1 (0.41) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL12139802 0.88 HPGDS (0.51) ALDH1A1CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL14966582 0.88 CYP3A4 (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL47078 0.86 ALDH1A1 (0.45) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL18526617 0.86 ALDH1A1 (0.45) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL12139787 0.85 HPGDS (0.45) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL483056 0.85 ALDH1A1 (0.47) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445367-B1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-22 — — EP disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
CN-110382487-B Silicon-containing compounds for use against hepatitis c virus infection 正大天晴药业集团股份有限公司 2021-04-02 — — CN disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 — — US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 — — US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 — — US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — 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
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 — — WO disclosed
WO-2010132538-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2010-11-18 — — WO disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — WO disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — 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 (8 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS UCHL1 2679/4885ALDH1A1 2858/4885CYP3A4 1792/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 UCHL1 2053/4885ALDH1A1 201/4885CYP3A4 56/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS UCHL1 2679/4885ALDH1A1 2858/4885CYP3A4 1792/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 UCHL1 1305/4885ALDH1A1 3925/4885CYP3A4 2443/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 UCHL1 2842/4885ALDH1A1 229/4885CYP3A4 136/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 UCHL1 1305/4885ALDH1A1 3925/4885CYP3A4 2443/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885ALDH1A1 3957/4885CYP3A4 1770/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 UCHL1 1305/4885ALDH1A1 3925/4885CYP3A4 2443/4885

“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.