SCHEMBL4093617

SCHEMBL4093617

CCOC(=O)CCNC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALOX15 P16050 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TOP2A P11388 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PLAU P00749 1/20 0.36
MLYCD O95822 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL4109677 0.89 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4099875 0.87 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4100220 0.86 EPHX2 (0.51) CYP1A2GAAALOX15ALDH1A1KMT2A
SCHEMBL17234588 0.86 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10055154 0.84 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL23028672 0.82 ADRA2A (0.33) CYP1A2ALOX15ITGB3ITGA2BALDH1A1
SCHEMBL4103385 0.82 TSHR (0.50) GAAMGAMSIMGAM2ALOX15
SCHEMBL4104132 0.80 GAA (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL21821530 0.80 HTR2C (0.54) EPHX2
SCHEMBL7088568 0.79 GAA (0.54) CYP1A2GAAMGAMSIMGAM2

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 26 patents — showing the first 20. 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
US-11826334-B2 Antiviral therapeutic compounds and compositions for use in treatment of coronavirus and influenza virus VIREO SYSTEMS, INC. (US) 2023-11-28 US disclosed
US-11826334-B2 Antiviral therapeutic compounds and compositions for use in treatment of coronavirus and influenza virus VIREO SYSTEMS, INC. (US) 2023-11-28 US disclosed
US-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF VIREO SYSTEMS, INC. (US) 2023-05-25 US disclosed
US-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF VIREO SYSTEMS, INC. (US) 2023-05-25 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
US-20220160671-A1 ANTIVIRAL THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR USE IN TREATMENT OF CORONAVIRUS AND INFLUENZA VIRUS VIREO SYSTEMS, INC. (US) 2022-05-26 US 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
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
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 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 (10 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-11826334-B2 Antiviral therapeutic compounds and compositions for use in treatment of coronavirus and influenza virus ACE, ACE2, SARS1 CYP1A2 2959/4885GAA 303/4885MGAM 1032/4885
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 CYP1A2 4191/4885GAA 1128/4885MGAM 2227/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 CYP1A2 3361/4885GAA 548/4885MGAM 873/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA CYP1A2 1788/4885GAA 4688/4885MGAM 2457/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CYP1A2 2280/4885GAA 3613/4885MGAM 2722/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 CYP1A2 3361/4885GAA 548/4885MGAM 873/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CYP1A2 2186/4885GAA 4099/4885MGAM 2914/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT CYP1A2 2496/4885GAA 1616/4885MGAM 2076/4885
US-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF PC, PCK2, MAVS CYP1A2 4020/4885GAA 840/4885MGAM 2311/4885
US-20220160671-A1 ANTIVIRAL THERAPEUTIC COMPOUNDS AND COMPOSITIONS FOR USE IN TREATMENT OF CORONAVIRUS AND INFLUENZA VIRUS ACE, ACE2, SARS1 CYP1A2 2959/4885GAA 303/4885MGAM 1032/4885

“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.