SCHEMBL5345186

SCHEMBL5345186

CN(CC(=O)OC(=O)CO)C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.36
CA2 P00918 18/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3812152 0.92 NOS3 (0.39) CA1CA2NOS3NOS1NOS2
Water SCHEMBL21810558 0.90 NOS3 (0.38) CA1CA2NOS3NOS1NOS2
SCHEMBL21404061 0.86 CA1 (0.39) CA1CA2NOS3NOS1NOS2
SCHEMBL941222 0.86 ALDH1A1 (0.38) CA1CA2NOS3NOS1NOS2
SCHEMBL584167 0.85 NOS3 (0.35) CA1CA2NOS3NOS1NOS2
SCHEMBL5326458 0.84 NOS3 (0.37) CA1CA2NOS3NOS1NOS2
SCHEMBL21404095 0.83 NOS3 (0.38) CA1CA2NOS3NOS1NOS2
SCHEMBL29175400 0.83 NOS3 (0.38) CA1CA2NOS3NOS1NOS2
SCHEMBL346040 0.82 NOS3 (0.36) CA1CA2NOS3NOS1NOS2
SCHEMBL4281971 0.82 NOS3 (0.35) CA1CA2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040228884-A1 Ion-pair delivery system for cosmetic and pharmaceutical compositions GUPTA SHYAM K (US) 2004-11-18 US claimed
US-20040156873-A1 Topically Bioavailable Acne and Rosacea Treatment Compositions GUPTA SHYAM K (US) 2004-08-12 US claimed
US-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions GUPTA SHYAM K (US) 2004-05-13 US claimed
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-06-29 US disclosed
US-11633354-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2023-04-25 US disclosed
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-03-02 US disclosed
US-11154499-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2021-10-26 US disclosed
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2021-08-19 US disclosed
US-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2020-08-06 US disclosed
WO-2019191338-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2019-10-03 WO disclosed
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2019-10-03 US disclosed
US-7179477-B2 Cosmetic dermabrasion treatment system GUPTA SHYAM K 2007-02-20 US disclosed
WO-2006023710-A2 COSMETIC OR PHARMACEUTICAL COMPOSITION FOR SKIN CARE INFINITY2 HEALTH SCIENCES, INC. (US) 2006-03-02 WO disclosed
US-20060039887-A1 Cosmetic or pharmaceutical composition for skin care INFINITY2 HEALTH SCIENCES, INC. 2006-02-23 US disclosed
US-20050037038-A1 Cosmetic Dermabrasion Treatment System GUPTA SHYAM K (US) 2005-02-17 US disclosed
US-20040228884-A1 Ion-pair delivery system for cosmetic and pharmaceutical compositions GUPTA SHYAM K (US) 2004-11-18 US disclosed
US-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions GUPTA SHYAM K (US) 2004-05-13 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 (8 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-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN CA1 2287/4885CA2 1324/4885NOS3 3285/4885
US-11154499-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN CA1 2287/4885CA2 1324/4885NOS3 3285/4885
US-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions CUTA, HIRA, HARS1 CA1 4564/4885CA2 2536/4885NOS3 2825/4885
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB CA1 1069/4885CA2 769/4885NOS3 3810/4885
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB CA1 1475/4885CA2 876/4885NOS3 4094/4885
US-11633354-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN CA1 2287/4885CA2 1324/4885NOS3 3285/4885
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB CA1 1069/4885CA2 769/4885NOS3 3810/4885
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN CA1 2287/4885CA2 1324/4885NOS3 3285/4885

“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.