Sugi Predict

Sugi Predict / Compounds / SCHEMBL2563667

SCHEMBL2563667

SCHEMBL2563667

CCCC[C@@H](CO)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ SLC1A2 P43004 3/20 0.59
▸ SLC1A1 P43005 3/20 0.59
▸ SLC1A3 P43003 2/20 0.59
▸ CHRM1 P11229 1/20 0.54
▸ AKR1A1 P14550 1/20 0.54
▸ CHRM3 P20309 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GRIK1 P39086 3/20 0.52
▸ GRIK2 Q13002 3/20 0.52
▸ CA1 P00915 4/20 0.50

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
SCHEMBL458613 1.00 CA2 (0.71) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL3185347 1.00 CA2 (0.71) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL3865424 0.98 CA2 (0.68) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL130285 0.93 CA2 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL130286 0.93 CA2 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL1857092 0.91 GRIK1 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL16970151 0.91 GRIK1 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL16969979 0.91 GRIK1 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL16970147 0.91 GRIK1 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL16970260 0.91 GRIK1 (0.61) CA2MAPK1SLC1A2SLC1A1SLC1A3

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2016021192-A1 PROCESS FOR PRODUCTION OF (S)-(TETRAHYDROFURAN-3-YL)HYDRAZINE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-11 — — WO disclosed
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2014-11-27 — — US disclosed
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2014-10-30 — — US disclosed
CN-103429576-A Novel processes for preparing triazolo[4,5-d]pyrimidine derivatives and intermediates thereof ACTAVIS GROUP PTC EHF 2013-12-04 — — CN disclosed
US-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-11-28 — — US disclosed
EP-2655341-A2 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF Actavis Group Ptc Ehf (IS) 2013-10-30 — — EP disclosed
US-20130165696-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2013-06-27 — — US disclosed
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2013-06-13 — — US disclosed
CN-103003231-A Novel method for preparing phenylcyclopropylamine derivatives and use thereof for preparing ticagrelor ACTAVIS GROUP PTC EHF 2013-03-27 — — CN disclosed
US-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2009-05-21 — — US disclosed
US-20080311633-A1 Plasmid Vectors For Transformation of Filamentous Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-12-18 — — US disclosed
US-20080311633-A1 Plasmid Vectors For Transformation of Filamentous Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-12-18 — — US disclosed
US-7452999-B2 Chemical process for the preparation of intermediates to obtain N-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2008-11-18 — — US disclosed
EP-1805314-B1 PROCESS FOR THE ENANTIOSELECTIVE OPENING OF 3-SUBSTITUTED OXETAN-2-ONES EMPLOYING LIPASES OF CANDIDA ANTARCTICA OR OF BURKHOLDERIA PLANTARRII BASF AG (DE) 2008-02-13 — — EP disclosed
CN-101092342-A Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-12-26 — — CN disclosed
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-08-02 — — US disclosed
CN-1759097-A Chemical process for preparing intermediates for obtaining N-formyl hydroxylamines NOVARTIS AG (CH) 2006-04-12 — — CN disclosed
EP-1599440-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2005-11-30 — — EP disclosed
WO-2004076053-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2004-09-10 — — 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 (7 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-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF TBXAS1, TBXA2R, THPO CA2 4121/4885MAPK1 564/4885SLC1A2 4302/4885
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R CA2 3787/4885MAPK1 857/4885SLC1A2 2192/4885
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT CA2 4219/4885MAPK1 802/4885SLC1A2 2247/4885
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT CA2 4219/4885MAPK1 802/4885SLC1A2 2247/4885
US-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS HAO2, HAO1, HAAO CA2 4279/4885MAPK1 2871/4885SLC1A2 4042/4885
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds HAO1, LMNA, HAO2 CA2 4853/4885MAPK1 3027/4885SLC1A2 4563/4885
US-20130165696-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R CA2 3787/4885MAPK1 857/4885SLC1A2 2192/4885

“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.