SCHEMBL22492382

SCHEMBL22492382

CS/C(N)=N\C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL13391450 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL1516856 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL8812894 0.83 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL8058467 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL3993457 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL5969414 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL8446206 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL22863169 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL31384524 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2
SCHEMBL2185619 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1SLC6A2

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-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
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 (4 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 1814/4885L3MBTL1 1242/4885TDP1 317/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885L3MBTL1 1242/4885TDP1 317/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885L3MBTL1 1242/4885TDP1 317/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885L3MBTL1 1242/4885TDP1 317/4885

“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.