SCHEMBL22492548

SCHEMBL22492548

[2H]C([2H])([2H])N=C(N)NCC(=O)OC[C@H](C)[C@@H](C)CCC=C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
DDAH1 O94760 1/20 0.30

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
SCHEMBL22492567 1.00 USP2 (0.32) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL22492466 0.81 ALDH1A1 (0.34) LMNAALDH1A1
Methane SCHEMBL22492568 0.80 USP2 (0.32) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL22492498 0.79 ALDH1A1 (0.39) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL22492377 0.77 LMNA (0.35) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL22492426 0.73
SCHEMBL22492566 0.70 USP2 (0.30) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL30531642 0.70 USP2 (0.30) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL22492562 0.69
SCHEMBL28442661 0.64 EPHX1 (0.31)

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 USP2 2763/4885CYP3A4 1146/4885MAPT 4252/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT USP2 2763/4885CYP3A4 1146/4885MAPT 4252/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT USP2 2763/4885CYP3A4 1146/4885MAPT 4252/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT USP2 2763/4885CYP3A4 1146/4885MAPT 4252/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT USP2 2763/4885CYP3A4 1146/4885MAPT 4252/4885

“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.