SCHEMBL22492598

SCHEMBL22492598

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
CTSK P43235 1/20 0.34
MAPT P10636 4/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 2/20 0.33
EPHX2 P34913 1/20 0.31
FAAH O00519 2/20 0.30
MGLL Q99685 1/20 0.30
PLA2G2C Q5R387 1/20 0.30
ABCC4 O15439 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TSHR P16473 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
SCHEMBL22492537 0.92 ALDH1A1 (0.35) ALDH1A1LMNACTSKPLA2G2C
SCHEMBL26247606 0.90 ALDH1A1 (0.42) ALDH1A1LMNACTSKMAPTUSP2
SCHEMBL30559915 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL29572948 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL26247619 0.81 ALDH1A1 (0.38) ALDH1A1LMNACTSKMAPTUSP2
SCHEMBL28434723 0.76 USP2 (0.42) ALDH1A1LMNACTSKMAPTUSP2
SCHEMBL17830880 0.74 LMNA (0.61) ALDH1A1LMNAMAPTHPGDFAAH
SCHEMBL25170430 0.73 MAPT (0.54) ALDH1A1LMNAMAPTHPGDFAAH
SCHEMBL17065860 0.73 MAPT (0.54) ALDH1A1LMNAMAPTHPGDFAAH
SCHEMBL22492477 0.73 ALDH1A1 (0.46) ALDH1A1LMNAMAPTUSP2CYP3A4

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 ALDH1A1 1814/4885LMNA 1837/4885CTSK 998/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885CTSK 998/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885CTSK 998/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885CTSK 998/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885CTSK 998/4885

“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.