SCHEMBL2581221

SCHEMBL2581221

O=C(CCCCC(S)CCS)N[C@@H](CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
NOD1 Q9Y239 5/20 0.44
ACE P12821 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
PGGT1B P53609 1/20 0.41
GSTK1 Q9Y2Q3 2/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
GNPAT O15228 1/20 0.39

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
SCHEMBL2581219 1.00 FOLH1 (0.45) FOLH1NOD1ACEKDM4EMAPT
SCHEMBL2577664 0.98 FOLH1 (0.44) FOLH1NOD1ACEKDM4EMAPT
SCHEMBL2577659 0.98 FOLH1 (0.44) FOLH1NOD1ACEKDM4EMAPT
SCHEMBL2577356 0.89 NOD1 (0.43) NOD1FNTAFNTBPGGT1BSLC6A5
SCHEMBL2577352 0.89 NOD1 (0.43) NOD1FNTAFNTBPGGT1BSLC6A5
SCHEMBL2576084 0.88 EPHX2 (0.43) FOLH1NOD1FNTAFNTBPGGT1B
SCHEMBL2577881 0.88 FOLH1 (0.50) FOLH1NOD1GNPAT
SCHEMBL2577879 0.88 FOLH1 (0.50) FOLH1NOD1GNPAT
SCHEMBL2576082 0.88 EPHX2 (0.43) FOLH1NOD1FNTAFNTBPGGT1B
SCHEMBL3276934 0.87 EPHX2 (0.43) FOLH1NOD1FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP claimed
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-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US claimed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP claimed
US-10632089-B2 Tyrosinase activity inhibitor and external preparation for skin JO COSMETICS CO., LTD. (JP) 2020-04-28 US disclosed
US-20180071239-A1 TYROSINASE ACTIVITY INHIBITOR AND EXTERNAL PREPARATION FOR SKIN JO COSMETICS CO., LTD. (JP) 2018-03-15 US disclosed
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
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 (6 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 FOLH1 3374/4885NOD1 4616/4885ACE 2479/4885
US-10632089-B2 Tyrosinase activity inhibitor and external preparation for skin TYR, SOD1, CAT FOLH1 2094/4885NOD1 2995/4885ACE 188/4885
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO FOLH1 2277/4885NOD1 2880/4885ACE 122/4885
US-20180071239-A1 TYROSINASE ACTIVITY INHIBITOR AND EXTERNAL PREPARATION FOR SKIN TYR, SOD1, CAT FOLH1 2094/4885NOD1 2995/4885ACE 188/4885
US-20090093541-A1 MELANIN ELIMINATOR PREPARATION TYR, MC1R, MCHR1 FOLH1 1909/4885NOD1 4460/4885ACE 1688/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO FOLH1 2480/4885NOD1 2236/4885ACE 385/4885

“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.