SCHEMBL22492599

SCHEMBL22492599

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
CCR5 P51681 11/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MCOLN3 Q8TDD5 2/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 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
SCHEMBL22492486 0.92 MAPT (0.37) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492502 0.85 MAPT (0.40) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL26247861 0.84 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL26247863 0.84 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492517 0.77 MAPT (0.36) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492713 0.77 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492547 0.76 MAPT (0.45) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL28440388 0.70 POLB (0.32) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492511 0.70 MAPT (0.44) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492463 0.69 MAPT (0.43) MAPTLMNAMEN1KMT2ANPSR1

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 MAPT 4252/4885LMNA 1837/4885MEN1 4024/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT MAPT 4252/4885LMNA 1837/4885MEN1 4024/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT MAPT 4252/4885LMNA 1837/4885MEN1 4024/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT MAPT 4252/4885LMNA 1837/4885MEN1 4024/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT MAPT 4252/4885LMNA 1837/4885MEN1 4024/4885

“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.