Sugi Predict

Sugi Predict / Compounds / SCHEMBL3080102

SCHEMBL3080102

SCHEMBL3080102

CC(C)(C)OCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ NOS1 P29475 2/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ LTA4H P09960 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.33
▸ CTSK P43235 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ HRH2 P25021 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ GRN P28799 1/20 0.30
▸ SORT1 Q99523 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 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
SCHEMBL522783 1.00 MAPK1 (0.41) MAPK1NOS1NOS3NOS2LTA4H
SCHEMBL522812 1.00 MAPK1 (0.41) MAPK1NOS1NOS3NOS2LTA4H
Hydrochloric Acid SCHEMBL318950 0.98 MAPK1 (0.40) MAPK1NOS1NOS3NOS2LTA4H
Hydrochloric Acid SCHEMBL522782 0.98 MAPK1 (0.40) MAPK1NOS1NOS3NOS2LTA4H
Hydrochloric Acid SCHEMBL522784 0.98 MAPK1 (0.40) MAPK1NOS1NOS3NOS2LTA4H
SCHEMBL4661867 0.85 MAPK1 (0.36) MAPK1NOS1NOS3NOS2SLC7A5
Hydrochloric Acid SCHEMBL6435071 0.83 NOS1 (0.36) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL12936767 0.83 NOS1 (0.36) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL30227945 0.83 NOS1 (0.36) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL343636 0.83 MAPK1 (0.41) MAPK1LTA4HCA1CA2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066423-B PD-L1 antagonist compounds 厦门宝太生物科技股份有限公司 2024-02-02 — — CN disclosed
EP-3334710-B1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS ALZHEON INC (US) 2023-10-04 — — EP disclosed
CN-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 — — CN disclosed
US-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 — — US disclosed
EP-3630783-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2020-04-08 — — EP disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 — — US disclosed
EP-3363790-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2020-02-19 — — EP disclosed
WO-2018218154-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2018-11-29 — — WO disclosed
EP-3041827-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-04-18 — — EP disclosed
US-20170226120-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-10 — — US disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
WO-2007003525-A2 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 — — WO disclosed
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2006-05-04 — — US disclosed
EP-1511751-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS Neogenesis Pharmaceuticals, Inc. (US) 2005-03-09 — — EP disclosed
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents NEOGENESIS PHARMACEUTICALS, INC. 2004-02-26 — — US disclosed
WO-2003101993-A1 PYRAZOLO` 1,5A! PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS, INC. (US) 2003-12-11 — — WO disclosed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 — — CN 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 (5 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-11267826-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL MAPK1 4129/4885NOS1 4500/4885NOS3 4668/4885
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents RNGTT, PNP, ZC3HAV1 MAPK1 2589/4885NOS1 2297/4885NOS3 1957/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL MAPK1 4129/4885NOS1 4500/4885NOS3 4668/4885
US-20170226120-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 MAPK1 1944/4885NOS1 171/4885NOS3 244/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK MAPK1 280/4885NOS1 3338/4885NOS3 3590/4885

“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.