SCHEMBL22492377

SCHEMBL22492377

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DDAH1 O94760 1/20 0.33
FAAH O00519 5/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MGLL Q99685 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
SCHEMBL22492498 0.80 ALDH1A1 (0.39) LMNAALDH1A1DDAH1FAAHUSP2
SCHEMBL22492426 0.79
Methane SCHEMBL22492378 0.79 ALDH1A1 (0.36) LMNAALDH1A1FAAHCNR1CNR2
SCHEMBL29572948 0.78 ALDH1A1 (0.41) LMNAALDH1A1FAAHCNR1CNR2
SCHEMBL30559915 0.78 ALDH1A1 (0.41) LMNAALDH1A1FAAHCNR1CNR2
SCHEMBL22492548 0.77 USP2 (0.32) LMNAALDH1A1DDAH1USP2CYP3A4
SCHEMBL22492567 0.77 USP2 (0.32) LMNAALDH1A1DDAH1USP2CYP3A4
SCHEMBL22492466 0.77 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL26247915 0.76 ALDH1A1 (0.45) LMNAALDH1A1FAAHCNR1CNR2
SCHEMBL11115250 0.74 ALDH1A1 (0.49) LMNAALDH1A1FAAHCNR1CNR2

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 7 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
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 LMNA 1837/4885ALDH1A1 1814/4885DDAH1 1290/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT LMNA 1837/4885ALDH1A1 1814/4885DDAH1 1290/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT LMNA 1837/4885ALDH1A1 1814/4885DDAH1 1290/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT LMNA 1837/4885ALDH1A1 1814/4885DDAH1 1290/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT LMNA 1837/4885ALDH1A1 1814/4885DDAH1 1290/4885

“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.