Cocarboxylase

Cocarboxylase

SCHEMBL14636148

Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.[Cl-]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

The experimentally established mechanism targets of Cocarboxylase. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
TKT P29401 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
RNASEL Q05823 6/20 0.53
P2RY2 P41231 3/20 0.51
P2RY1 P47900 3/20 0.50
SRC P12931 1/20 0.50
P2RX1 P51575 1/20 0.50
P2RX3 P56373 1/20 0.50
P2RX4 Q99571 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MACROD2 A1Z1Q3 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
MACROD1 Q9BQ69 1/20 0.49
TRPM2 O94759 1/20 0.49

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
Adenosine SCHEMBL675657 0.99 LMNA (0.62) LMNATKTTDP1RNASELP2RY2
Adenosine SCHEMBL2702312 0.94 LMNA (0.56) LMNATKTTDP1RNASELP2RY2
Hydrochloric Acid SCHEMBL7793647 0.92 TDP1 (0.55) LMNATKTTDP1RNASEL
SCHEMBL675658 0.91 LMNA (0.58) LMNATKTTDP1RNASELP2RY2
Adenosine SCHEMBL6862749 0.90 HSP90AA1 (0.53) LMNATKTTDP1RNASELP2RY2
SCHEMBL31005215 0.90 P2RY1 (0.56) LMNARNASELP2RY2P2RY1SRC
SCHEMBL14636151 0.90 TKT (0.56) LMNATKTTDP1RNASELP2RY2
Adenosine SCHEMBL15347371 0.88 HSP90AA1 (0.57) SMN1; SMN2
SCHEMBL6862756 0.86 TDP1 (0.53) LMNATKTTDP1RNASELP2RY2
Adenosine Triphosphate SCHEMBL28087656 0.84 P2RY1 (0.56) RNASELP2RY2P2RY1SRCP2RX1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387444-A1 CELL TRANSPORT AND STORAGE COMPOSITION AND METHOD Life Science Group Limited (GB) 2024-06-26 EP disclosed
CN-114364267-B Novel flavor composition, preparation method and application thereof 国际香料和香精公司 2024-01-30 CN disclosed
WO-2023021279-A1 CELL TRANSPORT AND STORAGE COMPOSITION AND METHOD Life Science Group Limited (GB) 2023-02-23 WO disclosed
EP-3996524-A1 NOVEL FLAVOR COMPOSITION AND METHODS OF PREPARATION AND USES THEREOF International Flavors and Fragrances Inc. (US) 2022-05-18 EP disclosed
CN-114364267-A Novel flavor composition, preparation method and application thereof 国际香料和香精公司 2022-04-15 CN disclosed
WO-2021007476-A1 NOVEL FLAVOR COMPOSITION AND METHODS OF PREPARATION AND USES THEREOF INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) 2021-01-14 WO disclosed
US-10179155-B2 Phosphodiesterase-4 inhibiting phytochemical compositions NATURE'S SUNSHINE PRODUCTS, INC. (US) 2019-01-15 US disclosed
WO-2018218287-A1 TREATMENT AND/OR PREVENTION OF NEUROPATHIC SYMPTOMS ASSOCIATED WITH DIABETES MELLITUS TYPE II Woodlinda Pty Ltd (AU) 2018-12-06 WO disclosed
US-20170065653-A1 Phosphodiesterase Inhibiting Phytochemical Compositions NATURE'S SUNSHINE PRODUCTS, INC. (US) 2017-03-09 US disclosed
US-20170065652-A1 Phosphodiesterase-4 Inhibiting Phytochemical Compositions NATURE'S SUNSHINE PRODUCTS, INC. (US) 2017-03-09 US disclosed
WO-2015130995-A1 PHOSPHODIESTERASE INHIBITING PHYTOCHEMICAL COMPOSITIONS TRIPP MATTHEW L (US) 2015-09-03 WO disclosed
WO-2015130994-A1 PHOSPHODIESTERASE-4 INHIBITING PHYTOCHEMICAL COMPOSITIONS TRIPP MATTHEW L (US) 2015-09-03 WO disclosed
EP-2734847-A1 METHOD AND ANALYTICAL KIT FOR SIMULTANEOUS QUANTIFICATION OF B-COMPLEX VITAMIN CONTENT IN FOOD Tallinn University Of Technology (EE) 2014-05-28 EP disclosed
US-20130102624-A1 EARLY DETECTION OF THIAMINE DEFICIENCY SCHLOSS JOHN V (US) 2013-04-25 US disclosed
WO-2013010553-A1 METHOD AND ANALYTICAL KIT FOR SIMULTANEOUS QUANTIFICATION OF B-COMPLEX VITAMIN CONTENT IN FOOD TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2013-01-24 WO disclosed