SCHEMBL468764

SCHEMBL468764

COC(=O)CC[C@H](NC(C)=O)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 2/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL463421 1.00 CA12 (0.48) CA12CA1CA2CA9L3MBTL1
SCHEMBL14177310 0.86 CA12 (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL14254941 0.86 TSHR (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL12064309 0.86 SMN1; SMN2 (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL12064029 0.86 SMN1; SMN2 (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL12064041 0.86 SMN1; SMN2 (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL19177132 0.85 FOLH1 (0.47) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL17715158 0.85 MAPT (0.52) TSHRALDH1A1SLC1A1KDM4EMAPT
SCHEMBL15148455 0.85 CA12 (0.48) CA12CA1CA2CA9L3MBTL1
SCHEMBL4577282 0.85 FOLH1 (0.47) ALDH1A1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US claimed
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-20130202652-A1 METHODS AND COMPOSITIONS FOR DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 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-20130202652-A1 METHODS AND COMPOSITIONS FOR DELIVERY OF ACTIVE AGENTS FUCA1, FUCA2, ANXA2 CA12 477/4885CA1 973/4885CA2 1317/4885

“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.