SCHEMBL17234155

SCHEMBL17234155

N/N=C(\N)NCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.43
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PLA2G2A P14555 1/20 0.36
HTT P42858 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PRMT1 Q99873 1/20 0.35
LMNA P02545 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NOS1 P29475 1/20 0.35
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL10752337 1.00 ECE1 (0.43) ECE1CA1CA2ALDH1A1KDM4E
SCHEMBL17234580 0.87 PRMT1 (0.47) CA1CA2PRMT1LMNAGRIN2D
SCHEMBL466337 0.87 PRMT1 (0.47) CA1CA2PRMT1LMNAGRIN2D
SCHEMBL585705 0.85 PRMT1 (0.55) ALDH1A1PLA2G2APRMT1LMNAADRA1A
SCHEMBL8944734 0.84 PRMT1 (0.59) ALDH1A1PLA2G2APRMT1LMNAADRA1A
SCHEMBL16211105 0.80 ECE1 (0.44) ECE1CA1CA2ALDH1A1KDM4E
SCHEMBL18757521 0.80 ECE1 (0.44) ECE1CA1CA2ALDH1A1KDM4E
SCHEMBL27283905 0.80 ECE1 (0.42) ECE1CA1CA2ALDH1A1KDM4E
SCHEMBL25367926 0.78 ECE1 (0.41) ECE1CA1CA2KDM4EPLA2G2A
SCHEMBL17234484 0.77 ECE1 (0.42) ECE1CA1CA2ALDH1A1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
WO-2016176636-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2016-11-03 WO disclosed
WO-2015168465-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2015-11-05 WO 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-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ECE1 2290/4885CA1 2678/4885CA2 484/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ECE1 2290/4885CA1 2678/4885CA2 484/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ECE1 2290/4885CA1 2678/4885CA2 484/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ECE1 2290/4885CA1 2678/4885CA2 484/4885

“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.