SCHEMBL22492482

SCHEMBL22492482

[2H]C([2H])([2H])N(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.37
SSTR4 P31391 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL98924 0.86 CHRNB2 (0.44) CA14SSTR4HDAC6CHRNB2CHRNB4
SCHEMBL30314913 0.83 HDAC6 (0.33) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL30311252 0.83 HDAC6 (0.33) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL27498416 0.78 CA14 (0.39) CA14SSTR4HDAC6CHRNB2CHRNB4
SCHEMBL17837044 0.77 HDAC6 (0.34) CA14HDAC6HDAC1HDAC2
SCHEMBL17873895 0.77 HDAC6 (0.34) CA14HDAC6HDAC1HDAC2
SCHEMBL22715600 0.76 CA14 (0.33) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL19865534 0.76 CHRNB2 (0.37) CA14SSTR4HDAC6CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL22492432 0.76 HDAC6 (0.33) CA14HDAC6HDAC1HDAC2
SCHEMBL30192795 0.76 HDAC6 (0.37) CA14HDAC6HDAC1HDAC2

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 6 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-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

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 CA14 1884/4885SSTR4 2916/4885HDAC6 4156/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA14 1884/4885SSTR4 2916/4885HDAC6 4156/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA14 1884/4885SSTR4 2916/4885HDAC6 4156/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT CA14 1884/4885SSTR4 2916/4885HDAC6 4156/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT CA14 1884/4885SSTR4 2916/4885HDAC6 4156/4885

“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.