Sugi Predict

Sugi Predict / Compounds / SCHEMBL903751

SCHEMBL903751

SCHEMBL903751

COC(=O)N[C@H](C(=O)O)C(C)OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30

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
SCHEMBL6121051 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL901561 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL241112 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL901563 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL193140 1.00 PYGL (0.35) PYGLCYP2C9ALDH1A1SLC1A3SLC1A2
SCHEMBL12557071 0.86 HTT (0.38) PYGLCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL17327099 0.83 — —
SCHEMBL5146050 0.83 CTSK (0.49) CTSSCTSK
SCHEMBL10660662 0.83 SMN1; SMN2 (0.38) PYGLCYP2C9ALDH1A1SMN1; SMN2TYR
SCHEMBL10398797 0.83 SMN1; SMN2 (0.38) PYGLCYP2C9ALDH1A1SMN1; SMN2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349945-B HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2021-10-29 — — CN disclosed
CN-108349907-B 1,4(1,4) -diphenylheterocycle hexa-tomato-12,43-diyl derivatives, process for their preparation and their use 江苏豪森药业集团有限公司 2021-08-31 — — CN disclosed
WO-2021080458-A1 PANGENOTYPIC INHIBITOR OF HEPATITIS C VIRUS NS5A PROTEIN ИВАЩЕНКО, Александр Васильевич 2021-04-29 — — WO 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-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 — — US disclosed
EP-3604295-A1 SILICON-CONTAINING COMPOUND FOR RESISTANCE TO HEPATITIS C VIRUS INFECTION Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-02-05 — — EP disclosed
CN-110382487-A Silicon-containing compound for anti-hepatitis c virus infection 正大天晴药业集团股份有限公司 2019-10-25 — — CN disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
CN-108349945-A HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2018-07-31 — — CN disclosed
WO-2018121678-A1 PRODRUG OF ANTIVIRAL NUCLEOSIDE ANALOGUES, AND COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2018-07-05 — — WO disclosed
US-9433609-B2 Benzimidazole-imidazole derivatives JANSSEN SCIENCES IRELAND UC (IE) 2016-09-06 — — US disclosed
US-9427428-B2 Benzimidazole-imidazole derivatives JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 — — US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 — — US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 — — US disclosed
CN-102741241-B Benzimidazole-imidazole derivatives JANSSEN R & D IRELAND 2015-05-20 — — CN disclosed
US-20140316144-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2014-10-23 — — US disclosed
US-20140107172-A1 Benzimidazole-imidazole derivatives JANSSEN R&D IRELAND (IL) 2014-04-17 — — US disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 — — WO disclosed
US-20120219594-A1 Benzimidazole-imidazole Derivatives JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — US disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 — — 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 (6 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-20140107172-A1 Benzimidazole-imidazole derivatives HAVCR2, CBR3, ZC3HAV1 PYGL 2835/4885CYP2C9 338/4885ALDH1A1 1349/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PYGL 2026/4885CYP2C9 3296/4885ALDH1A1 3957/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PYGL 2026/4885CYP2C9 3296/4885ALDH1A1 3957/4885
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection SLC11A2, SLC10A1, SLC39A11 PYGL 46/4885CYP2C9 1933/4885ALDH1A1 3793/4885
US-20140316144-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PYGL 844/4885CYP2C9 3743/4885ALDH1A1 3925/4885
US-20120219594-A1 Benzimidazole-imidazole Derivatives HAVCR2, CBR3, ZC3HAV1 PYGL 2835/4885CYP2C9 338/4885ALDH1A1 1349/4885

“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.