SCHEMBL434612

SCHEMBL434612

C=CCCCOC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27827148 0.95 CA12 (0.48) CA12CA2CA1CA9ALDH1A1
SCHEMBL14916486 0.84 CA12 (0.43) CA12CA2CA1CA9ALDH1A1
SCHEMBL17685210 0.84 CA12 (0.43) CA12CA2CA1CA9ALDH1A1
SCHEMBL8220165 0.81 GAA (0.47) ALDH1A1LMNAGAA
SCHEMBL1710035 0.81 CA12 (0.48) CA12CA2CA1CA9ALDH1A1
SCHEMBL14756250 0.81 TDP1 (0.62) CA12CA2CA1CA9ALDH1A1
SCHEMBL5136229 0.81 SMN1; SMN2 (0.50) CA12CA2CA1CA9ALDH1A1
SCHEMBL3402001 0.80 TDP1 (0.60) CA12CA2CA1CA9ALDH1A1
SCHEMBL13012784 0.80 TDP1 (0.65) CA12CA2CA1CA9ALDH1A1
SCHEMBL13817633 0.80 TDP1 (0.65) CA12CA2CA1CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2024-03-21 US disclosed
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2023-09-12 US disclosed
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2023-09-12 US disclosed
CN-111417620-B Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2023-08-25 CN disclosed
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2022-07-21 US disclosed
US-11332438-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2022-05-17 US disclosed
US-11332438-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2022-05-17 US disclosed
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2021-01-07 US disclosed
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2021-01-07 US disclosed
EP-3717453-A2 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF Ultragenyx Pharmaceutical Inc. (US) 2020-10-07 EP disclosed
CN-111417620-A Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2020-07-14 CN disclosed
EP-2595994-B1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2016-04-20 EP disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
EP-2595994-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES Glaxo Group Limited (GB) 2013-05-29 EP disclosed
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES GLAXO GROUP LIMITED (GB) 2013-05-09 US disclosed
WO-2012012391-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2012-01-26 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-11332438-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA2 2749/4885CA1 2701/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA2 2749/4885CA1 2701/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA2 2749/4885CA1 2701/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA2 2749/4885CA1 2701/4885
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES DHPS, AKR1C3, Q6ZSR9 CA12 3388/4885CA2 2130/4885CA1 1817/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA2 2749/4885CA1 2701/4885

“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.