SCHEMBL4737041

SCHEMBL4737041

N=C(N)NNCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
LMNA P02545 3/20 0.35
EGLN1 Q9GZT9 3/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KDM5C P41229 3/20 0.34
PHF8 Q9UPP1 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
ECE1 P42892 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL9539681 0.87 LMNA (0.40) ITGB3ITGA2BLMNAGRIN2DGRIN3B
SCHEMBL5485633 0.85 PRMT1 (0.45) ITGB3ITGA2BLMNACYP1A2GABRR1
SCHEMBL11015165 0.81 LMNA (0.38) LMNAEGLN1ALKBH5SUCNR1KDM4E
Hydrazine SCHEMBL11766600 0.79 LMNA (0.36) LMNAEGLN1ALKBH5SUCNR1KDM4E
Hexanoate SCHEMBL5847711 0.77 GPR84 (0.55) TSHRKMT2AHDAC11SLC22A6
Decanoic Acid SCHEMBL5849865 0.77 GPR84 (0.55) TSHRKMT2AHDAC11SLC22A6
Heptanoate SCHEMBL5848781 0.77 GPR84 (0.55) TSHRKMT2AHDAC11SLC22A6
Octanoic Acid SCHEMBL5848069 0.77 GPR84 (0.55) TSHRKMT2AHDAC11SLC22A6
Ompenaclid SCHEMBL33761 0.76
SCHEMBL5544830 0.76

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993000108-A1 NOVEL INHIBITORS OF PLATELET AGGREGATION CORVAS INTERNATIONAL, INC. (US) 1993-01-07 WO claimed
JP-54128523-A None JP disclosed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
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-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
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-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 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
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
WO-2008077194-A1 RECEPTOR AGONISTS XENOME LTD (AU) 2008-07-03 WO disclosed
WO-1993000108-A1 NOVEL INHIBITORS OF PLATELET AGGREGATION CORVAS INTERNATIONAL, INC. (US) 1993-01-07 WO disclosed
JP-S54128523-A 3-GUANIDINOAMINO PROPIONIC ACID AND ITS PREPARATION NIPPON CARBIDE IND CO LTD 1979-10-05 JP 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 ITGB3 2978/4885ITGA2B 3151/4885LMNA 3626/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ITGB3 4144/4885ITGA2B 4286/4885LMNA 2797/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ITGB3 4144/4885ITGA2B 4286/4885LMNA 2797/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ITGB3 4144/4885ITGA2B 4286/4885LMNA 2797/4885

“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.