SCHEMBL21461371

SCHEMBL21461371

CNC(=NSC[C@@H](N)C(=O)O)N(C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 1/20 0.38
▸ NOS2 P35228 5/20 0.33
▸ NOS1 P29475 3/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ ARG1 P05089 1/20 0.30
▸ ARG2 P78540 1/20 0.30
▸ KIF11 P52732 1/20 0.30

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
SCHEMBL21461372 1.00 BHMT (0.38) BHMTNOS2NOS1NOS3ARG1
SCHEMBL23586891 1.00 BHMT (0.38) BHMTNOS2NOS1NOS3ARG1
SCHEMBL17234319 1.00 BHMT (0.38) BHMTNOS2NOS1NOS3ARG1
SCHEMBL21461373 0.86 BHMT (0.48) BHMTNOS2NOS1NOS3
SCHEMBL21461374 0.86 BHMT (0.48) BHMTNOS2NOS1NOS3
SCHEMBL23586839 0.86 BHMT (0.48) BHMTNOS2NOS1NOS3
SCHEMBL17234324 0.86 BHMT (0.48) BHMTNOS2NOS1NOS3
SCHEMBL23586885 0.83 — —
SCHEMBL24241853 0.81 BHMT (0.40) BHMTNOS2NOS1NOS3ARG1
SCHEMBL18528398 0.81 BHMT (0.40) BHMTNOS2NOS1NOS3ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 — — US disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 BHMT 505/4885NOS2 3755/4885NOS1 3768/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 BHMT 902/4885NOS2 3782/4885NOS1 3763/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 BHMT 902/4885NOS2 3782/4885NOS1 3763/4885

“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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