SCHEMBL17234499

SCHEMBL17234499

N/C(=N\SCC[C@@H](N)C(=O)O)NCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 7/20 0.47
▸ GRM8 O00222 2/20 0.44
▸ GRM6 O15303 2/20 0.44
▸ GRM7 Q14831 2/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GSR P00390 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44

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
SCHEMBL18528324 1.00 BHMT (0.47) BHMTGRM8GRM6GRM7GRM4
SCHEMBL17224704 0.85 GRM8 (0.39) BHMTGRM8GRM6GRM7GRM4
SCHEMBL17224701 0.85 GRM8 (0.39) BHMTGRM8GRM6GRM7GRM4
SCHEMBL23566644 0.80 ECE1 (0.35) GRIN2DGRIN3BCYP1A2GRIN1GRIN2A
SCHEMBL17234496 0.80 ECE1 (0.35) GRIN2DGRIN3BCYP1A2GRIN1GRIN2A
SCHEMBL24241848 0.80 ECE1 (0.38) GRIN2DGRIN3BCYP1A2GRIN1GRIN2A
SCHEMBL17234501 0.76 ECE1 (0.37) GRIN2DGRIN3BCYP1A2GRIN1GRIN2A
SCHEMBL23566522 0.76 ECE1 (0.37) GRIN2DGRIN3BCYP1A2GRIN1GRIN2A
SCHEMBL23586969 0.75 ECE1 (0.35) —
SCHEMBL23566571 0.75 CA1 (0.33) —

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 16 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-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-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-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

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 BHMT 902/4885GRM8 2829/4885GRM6 1947/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 BHMT 902/4885GRM8 2829/4885GRM6 1947/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 BHMT 902/4885GRM8 2829/4885GRM6 1947/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 BHMT 902/4885GRM8 2829/4885GRM6 1947/4885

“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.

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