SCHEMBL2583434

SCHEMBL2583434

CCCCC(NC(=O)CCCCC(S)CCS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 11/20 0.61
SLC6A5 Q9Y345 2/20 0.53
EPHX2 P34913 1/20 0.46
FAAH O00519 1/20 0.45
HDAC2 Q92769 1/20 0.44
PLA2G2C Q5R387 1/20 0.43
GLP1R P43220 3/20 0.42

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
SCHEMBL2583437 1.00 NOD1 (0.61) NOD1SLC6A5EPHX2FAAHHDAC2
SCHEMBL2520684 0.86 SLC6A5 (0.56) NOD1SLC6A5
SCHEMBL2581261 0.86 SLC6A5 (0.56) NOD1SLC6A5
SCHEMBL2577881 0.86 FOLH1 (0.50) NOD1EPHX2
SCHEMBL2577879 0.86 FOLH1 (0.50) NOD1EPHX2
SCHEMBL2581221 0.85 FOLH1 (0.45) NOD1SLC6A5FAAH
SCHEMBL2581219 0.85 FOLH1 (0.45) NOD1SLC6A5FAAH
Zinc Ion SCHEMBL2574083 0.85 NOD1 (0.44) NOD1SLC6A5EPHX2FAAHPLA2G2C
SCHEMBL20553085 0.85 NOD1 (0.71) NOD1SLC6A5EPHX2FAAHPLA2G2C
SCHEMBL8964448 0.85 NOD1 (0.71) NOD1SLC6A5EPHX2FAAHPLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122100-A1 Melanin extinguisher OGA RESEARCH, INCORPORATED (JP) 2006-06-08 US claimed
EP-1547590-A1 MELANIN EXTINGUISHER Oga Research, Incorporated (JP) 2005-06-29 EP claimed
US-8048911-B2 Melanin eliminator preparation OGA Research, Inc. (JP) 2011-11-01 US disclosed
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 US disclosed
US-7700080-B2 Method of suppressing melanin production by metal chelates of lipoyl amino acid derivatives SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP disclosed
US-20090093541-A1 MELANIN ELIMINATOR PREPARATION OGA RESEARCH, INC (JP) 2009-04-09 US disclosed
US-20060122100-A1 Melanin extinguisher OGA RESEARCH, INCORPORATED (JP) 2006-06-08 US disclosed
EP-1547590-A1 MELANIN EXTINGUISHER Oga Research, Incorporated (JP) 2005-06-29 EP disclosed
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 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 (4 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-20060122100-A1 Melanin extinguisher TYR, MC1R, MITF NOD1 4616/4885SLC6A5 2176/4885EPHX2 4410/4885
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO NOD1 2880/4885SLC6A5 1460/4885EPHX2 1159/4885
US-20090093541-A1 MELANIN ELIMINATOR PREPARATION TYR, MC1R, MCHR1 NOD1 4460/4885SLC6A5 1510/4885EPHX2 3181/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO NOD1 2236/4885SLC6A5 1527/4885EPHX2 1812/4885

“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.