Sugi Predict

Sugi Predict / Compounds / SCHEMBL3044188

SCHEMBL3044188

SCHEMBL3044188

COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.44
▸ NR1H3 Q13133 2/20 0.44
▸ MCL1 Q07820 8/20 0.44
▸ HSD11B1 P28845 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ BCL2 P10415 3/20 0.39
▸ BCL2L1 Q07817 3/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL12682712 1.00 NR1H2 (0.44) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL3402189 1.00 NR1H2 (0.44) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL2819569 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL6847613 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL8166919 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL25097911 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL4320166 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL6847935 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL3182745 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1
SCHEMBL6847610 0.91 NR1H2 (0.47) NR1H2NR1H3MCL1HSD11B1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 — — US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 — — US disclosed
WO-2020247736-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2020-12-10 — — WO disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 — — EP disclosed
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 — — EP disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 — — US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 — — US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 — — US disclosed
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 — — WO disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — US disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 — — WO disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 — — WO disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 — — US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 — — US disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 — — WO disclosed
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 — — WO disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 — — 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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA NR1H2 3981/4885NR1H3 3677/4885MCL1 1279/4885
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 NR1H2 1877/4885NR1H3 1393/4885MCL1 1822/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC NR1H2 99/4885NR1H3 49/4885MCL1 1191/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 NR1H2 1877/4885NR1H3 1393/4885MCL1 1822/4885
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC NR1H2 1234/4885NR1H3 1292/4885MCL1 3076/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC NR1H2 82/4885NR1H3 68/4885MCL1 859/4885

“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.