SCHEMBL22492367

SCHEMBL22492367

CCOC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL3815159 0.89 KMT2A (0.54) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL22492554 0.87 GAA (0.66) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL257480 0.84 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL3152558 0.83 KMT2A (0.62) ALDH1A1KMT2AMEN1KDM4ECA1
SCHEMBL7017836 0.82 MAPT (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL5097888 0.82 RAB9A (0.49) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL7261912 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4ERAB9AMAPT
SCHEMBL6506619 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL13917758 0.80 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL11853731 0.80 KMT2A (0.57) ALDH1A1KMT2AMEN1KDM4ERAB9A

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 8 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-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 ALDH1A1 1814/4885KMT2A 1496/4885MEN1 4024/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885KMT2A 1496/4885MEN1 4024/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885KMT2A 1496/4885MEN1 4024/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885KMT2A 1496/4885MEN1 4024/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885KMT2A 1496/4885MEN1 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.