Sugi Predict

Sugi Predict / Compounds / SCHEMBL56783

SCHEMBL56783

SCHEMBL56783

CC(C)(C)OC(=O)N[C@@H](CO)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CYP2D6 P10635 1/20 0.47
▸ CTSK P43235 11/20 0.45
▸ CTSS P25774 6/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ APLNR P35414 1/20 0.39

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
SCHEMBL4574028 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL56671 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL3685399 0.86 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL23925023 0.86 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL14496991 0.86 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL1352540 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL31255051 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL1692753 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL22362992 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL30365028 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279767-B Tetracyclic compounds as inhibitors of hepatitis b surface antigen 正大天晴药业集团股份有限公司 2024-12-06 — — CN disclosed
CN-110831942-B Fused indazolopyridinone compounds as antiviral agents 诺华股份有限公司 2023-04-04 — — CN disclosed
CN-110526930-B anti-HIV (human immunodeficiency virus) sulfur-containing polycyclic-hydroxypyridone formamide analogue and application thereof 莫云芬 2022-06-03 — — CN disclosed
EP-3998269-A1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS Novartis AG (CH) 2022-05-18 — — EP disclosed
EP-3998269-A1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS Novartis AG (CH) 2022-05-18 — — EP disclosed
US-20220105091-A1 FUSED TRICYCLIC PYRAZOLO-DIHYDROPYRAZINYL-PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2022-04-07 — — US disclosed
EP-3615533-B1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2021-09-08 — — EP disclosed
US-20190300530-A1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2019-10-03 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 — — WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 — — US disclosed
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE SCHERING CORPORATION 2010-04-29 — — US disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 — — US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 — — EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — WO disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 — — US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 — — 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 (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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 CA1 4464/4885CA2 3010/4885CA7 4333/4885
US-20220105091-A1 FUSED TRICYCLIC PYRAZOLO-DIHYDROPYRAZINYL-PYRIDONE COMPOUNDS AS ANTIVIRALS ZC3HAV1, CYP3A5, HAVCR2 CA1 4874/4885CA2 4562/4885CA7 3634/4885
US-20190300530-A1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS CYP3A5, CYP3A43, CYP3A4 CA1 4880/4885CA2 4731/4885CA7 4200/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA1 2037/4885CA2 562/4885CA7 1717/4885
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB CA1 1718/4885CA2 2767/4885CA7 2444/4885
US-20100104534-A1 HYDRAZIDO-PEPTIDES AS INHIBITORS OF HCV NS3-PROTEASE PREP, HPN, VIP CA1 1699/4885CA2 1786/4885CA7 2449/4885

“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.