SCHEMBL2576305

SCHEMBL2576305

O=C(O)CNC(=O)[C@H](CC(=O)O)NC(=O)CCCCC(S)CCS.[NaH].[NaH].[Zn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
GSTK1 Q9Y2Q3 1/20 0.46
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
GLO1 Q04760 2/20 0.37
PTPN1 P18031 2/20 0.36
EPHX2 P34913 2/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 1/20 0.33
BMP1 P13497 1/20 0.32
GNPAT O15228 1/20 0.32
NMT2 O60551 1/20 0.32
NMT1 P30419 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
SCHEMBL2576056 0.97 PTGS1 (0.48) PTGS1GSTK1ITGB3ITGA2BGLO1
SCHEMBL2576057 0.97 PTGS1 (0.48) PTGS1GSTK1ITGB3ITGA2BGLO1
Zinc Ion SCHEMBL5970469 0.90 PTGS1 (0.39) PTGS1GSTK1ITGB3ITGA2BGLO1
SCHEMBL3276934 0.84 EPHX2 (0.43) PTGS1GSTK1EPHX2FNTAFNTB
SCHEMBL3338513 0.84 EPHX2 (0.43) PTGS1GSTK1EPHX2FNTAFNTB
SCHEMBL3276924 0.84 EPHX2 (0.43) PTGS1GSTK1EPHX2FNTAFNTB
SCHEMBL3338505 0.84 EPHX2 (0.43) PTGS1GSTK1EPHX2FNTAFNTB
SCHEMBL2576082 0.83 EPHX2 (0.43) PTGS1GSTK1EPHX2FNTAFNTB
SCHEMBL2576084 0.83 EPHX2 (0.43) PTGS1GSTK1EPHX2FNTAFNTB
SCHEMBL3335091 0.81 PTPN1 (0.53) PTGS1GSTK1PTPN1FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048911-B2 Melanin eliminator preparation OGA Research, Inc. (JP) 2011-11-01 US disclosed
US-20090093541-A1 MELANIN ELIMINATOR PREPARATION OGA RESEARCH, INC (JP) 2009-04-09 US disclosed
EP-1547590-A1 MELANIN EXTINGUISHER Oga Research, Incorporated (JP) 2005-06-29 EP 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-20090093541-A1 MELANIN ELIMINATOR PREPARATION TYR, MC1R, MCHR1 PTGS1 3342/4885GSTK1 3045/4885ITGB3 3337/4885

“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.