SCHEMBL9212290

SCHEMBL9212290

N=C1NCC(=O)N1CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KMO O15229 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4597653 0.82 TSHR (1.00) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL11022512 0.81 TSHR (0.69) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL7202796 0.69 TSHR (0.72) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL9391523 0.69 TSHR (0.57) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL9698792 0.69 TSHR (0.57) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL6065009 0.69 MAPT (0.38) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL236431 0.68 TSHR (0.56) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL6032622 0.67 TSHR (0.50) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11020365 0.67 TSHR (0.66) TSHRKMT2AMEN1GSK3AGSK3B
SCHEMBL7672613 0.65 TSHR (0.53) TSHRKMT2AMEN1GSK3AGSK3B

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
EP-0660709-A1 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1995-07-05 EP claimed
WO-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 WO claimed
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-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
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
EP-0660709-A1 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1995-07-05 EP disclosed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US disclosed
EP-0557383-A1 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1993-09-01 EP disclosed
WO-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 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 (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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 TSHR 4530/4885KMT2A 3661/4885MEN1 3453/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 TSHR 4268/4885KMT2A 1868/4885MEN1 3861/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 TSHR 4268/4885KMT2A 1868/4885MEN1 3861/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 TSHR 4268/4885KMT2A 1868/4885MEN1 3861/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 TSHR 4268/4885KMT2A 1868/4885MEN1 3861/4885

“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.