SCHEMBL2582831

SCHEMBL2582831

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 3/20 0.42
GSTK1 Q9Y2Q3 2/20 0.42
FOLH1 Q04609 1/20 0.41
ENPEP Q07075 1/20 0.41
PRMT1 Q99873 1/20 0.41
HDAC3 O15379 5/20 0.40
HDAC4 P56524 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2581324 0.95 EPHX2 (0.48) KDM4EEPHX2GSTK1ENPEPPRMT1
SCHEMBL3276636 0.94 EPHX2 (0.47) KDM4EEPHX2GSTK1PRMT1HDAC3
SCHEMBL3337710 0.94 EPHX2 (0.47) KDM4EEPHX2GSTK1PRMT1HDAC3
SCHEMBL2575373 0.92 FAAH (0.42) EPHX2GSTK1FOLH1ENPEPHDAC3
SCHEMBL15195616 0.85 DNM1 (0.40) EPHX2GSTK1FOLH1ENPEPHDAC3
SCHEMBL3276879 0.85 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
Zinc Ion SCHEMBL3337795 0.85 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
Dihydrolipoic Acid SCHEMBL867951 0.85 FOLH1 (0.56) GSTK1FOLH1ENPEPLMNATSHR
Dihydrolipoic Acid SCHEMBL618576 0.85 FOLH1 (0.56) GSTK1FOLH1ENPEPLMNATSHR
Dihydrolipoic Acid SCHEMBL1115003 0.85 FOLH1 (0.56) GSTK1FOLH1ENPEPLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100367949-C Melanin extinguisher OGA RES INC (JP) 2008-02-13 CN claimed
US-20060122100-A1 Melanin extinguisher OGA RESEARCH, INCORPORATED (JP) 2006-06-08 US claimed
CN-1681490-A Melanin extinguisher OGA RES INC (JP) 2005-10-12 CN 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-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
CN-100367949-C Melanin extinguisher OGA RES INC (JP) 2008-02-13 CN disclosed
US-20060122100-A1 Melanin extinguisher OGA RESEARCH, INCORPORATED (JP) 2006-06-08 US disclosed
CN-1681490-A Melanin extinguisher OGA RES INC (JP) 2005-10-12 CN 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 KDM4E 2477/4885EPHX2 4410/4885GSTK1 2911/4885
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO KDM4E 4183/4885EPHX2 1159/4885GSTK1 486/4885
US-20090093541-A1 MELANIN ELIMINATOR PREPARATION TYR, MC1R, MCHR1 KDM4E 1751/4885EPHX2 3181/4885GSTK1 3045/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO KDM4E 3949/4885EPHX2 1812/4885GSTK1 860/4885

“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.