SCHEMBL5354996

SCHEMBL5354996

N[C@@H](C=O)[C@@H](OC(=O)CO)[C@H](O)[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PAX8 Q06710 1/20 0.36
PDE4A P27815 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2842689 0.89 USP2 (0.37) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL17767399 0.87 PAX8 (0.38) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL9807657 0.85 USP2 (0.43) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL9807660 0.85 USP2 (0.43) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL9617278 0.83 PAX8 (0.40) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL1182040 0.83 PAX8 (0.40) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL2223103 0.83 PAX8 (0.40) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL16429713 0.83 USP2 (0.38) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL14763595 0.83 PAX8 (0.35) USP2SLCO1B1PAX8
SCHEMBL1788963 0.81 PAX8 (0.41) USP2SLCO1B1PAX8PDE4ALMNA

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 9 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-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 (1 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-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions CUTA, HIRA, HARS1 USP2 340/4885SLCO1B1 1268/4885PAX8 3014/4885

“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.