SCHEMBL22492433

SCHEMBL22492433

[2H]C([2H])([2H])N(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.46
MMP1 P03956 3/20 0.44
MMP2 P08253 3/20 0.44

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
SCHEMBL22492560 0.90 CA12 (0.61) CA12CA9CA1CA2CA3
SCHEMBL28440595 0.86 CA12 (0.50) CA12CA9CA1CA2CA3
SCHEMBL22492626 0.85 MAPT (0.52) CA12CA9CA1CA2CA3
SCHEMBL17837048 0.82 MAPT (0.49) CA12CA9CA1CA2CA3
SCHEMBL22492547 0.80 MAPT (0.45) CA12CA9CA1CA2CA3
SCHEMBL22492413 0.77 MAPT (0.45) CA12CA9CA1CA2CA3
SCHEMBL8120216 0.76 TAS2R14 (0.57) CA12CA9CA1CA2CA3
SCHEMBL22492511 0.76 MAPT (0.44) CA12CA9CA1CA2CA3
SCHEMBL22492559 0.76 MAPT (0.44) CA12CA9CA1CA2CA3
SCHEMBL22492463 0.75 MAPT (0.43) CA12CA9CA1CA2CA3

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 8 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
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-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

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-11332438-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA9 1516/4885CA1 2701/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA9 1516/4885CA1 2701/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA9 1516/4885CA1 2701/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA9 1516/4885CA1 2701/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA12 2023/4885CA9 1516/4885CA1 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.