SCHEMBL1762279

SCHEMBL1762279

CC(C)=CCN[C@H](CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.43
FOLH1 Q04609 1/20 0.37
FNTA P49354 10/20 0.35
FNTB P49356 10/20 0.35
ALDH1A1 P00352 3/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL388271 1.00 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL332020 1.00 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
Cysteine SCHEMBL20817549 0.90 PTGS1 (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL11856516 0.85 FNTA (0.51) MAPTFNTAFNTBALDH1A1
SCHEMBL3863272 0.85 FNTA (0.51) MAPTFNTAFNTBALDH1A1
SCHEMBL3860439 0.85 FNTA (0.51) MAPTFNTAFNTBALDH1A1
SCHEMBL3863270 0.85 FNTA (0.51) MAPTFNTAFNTBALDH1A1
SCHEMBL20657039 0.84 FNTA (0.54) MAPTFNTAFNTBALDH1A1
SCHEMBL20535484 0.84 FNTA (0.54) MAPTFNTAFNTBALDH1A1
SCHEMBL1529433 0.84 FNTA (0.54) MAPTFNTAFNTBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765376-B1 Topical compositions and use thereof for the treatment of epithelial-related conditions SIGNUM BIOSCIENCES INC (US) 2013-04-10 EP disclosed
US-8338648-B2 Topical compositions and methods for epithelial-related conditions SIGNUM BIOSCIENCES, INC. (US) 2012-12-25 US disclosed
US-8334413-B2 Topical compositions and methods for epithelial-related conditions SIGNUM BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-20110117187-A1 TOPICAL COMPOSITIONS AND METHODS FOR EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2011-05-19 US disclosed
EP-1765376-A4 TOPICAL COMPOSITIONS AND METHODS FOR EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES INC (US) 2009-04-22 EP disclosed
EP-1899480-A4 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNUM BIOSCIENCES INC (US) 2009-04-22 EP disclosed
EP-1899480-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2008-03-19 EP disclosed
EP-1765376-A1 TOPICAL COMPOSITIONS AND METHODS FOR EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2007-03-28 EP disclosed
WO-2006135894-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2006-12-21 WO disclosed
WO-2005123103-A1 TOPICAL COMPOSITIONS AND METHODS FOR EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2005-12-29 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 (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-20110117187-A1 TOPICAL COMPOSITIONS AND METHODS FOR EPITHELIAL-RELATED CONDITIONS KRT18, CUTA, SERPINB1 MAPT 2316/4885KDM4E 4307/4885THRB 4489/4885

“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.