SCHEMBL17234459

SCHEMBL17234459

N=C(N)NC(=N)NCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
CYP2D6 P10635 1/20 0.33
APP P05067 1/20 0.32
PTGS1 P23219 1/20 0.30
PDE4A P27815 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
SCHEMBL28685473 0.83 ALOX15 (0.50) ALOX15LMNASLC6A6CYP2C19BLM
SCHEMBL33972 0.83 ALOX15 (0.50) ALOX15LMNASLC6A6CYP2C19BLM
SCHEMBL3070655 0.78 MEN1 (0.43) ALOX15
SCHEMBL674969 0.78 MEN1 (0.32)
SCHEMBL24461915 0.76 SMN1; SMN2 (0.47) ALOX15
SCHEMBL3063054 0.76 SMN1; SMN2 (0.47) ALOX15
SCHEMBL24461929 0.76 SMN1; SMN2 (0.47) ALOX15
SCHEMBL3071899 0.76 SMN1; SMN2 (0.47) ALOX15
SCHEMBL3084829 0.76 SMN1; SMN2 (0.47) ALOX15
SCHEMBL24461912 0.76 SMN1; SMN2 (0.47) ALOX15

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 12 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
CN-114113573-B Biomarker for early prediction of cardiovascular disease (CVD) of diabetic patient and application thereof 中国医学科学院阜外医院 2022-11-11 CN disclosed
CN-114113573-A Biomarker for early prediction of cardiovascular disease (CVD) of diabetic patient and application thereof 中国医学科学院阜外医院 2022-03-01 CN 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 ALOX15 4597/4885LMNA 2797/4885SLC6A6 49/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALOX15 4597/4885LMNA 2797/4885SLC6A6 49/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALOX15 4597/4885LMNA 2797/4885SLC6A6 49/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALOX15 4597/4885LMNA 2797/4885SLC6A6 49/4885

“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.