SCHEMBL3276934

SCHEMBL3276934

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
NOD1 Q9Y239 3/20 0.41
GNPAT O15228 1/20 0.39
MME P08473 3/20 0.38
SLC6A5 Q9Y345 1/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 1/20 0.37
FOLH1 Q04609 1/20 0.36
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35

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
SCHEMBL3276924 1.00 EPHX2 (0.43) EPHX2CA2CA4NOD1GNPAT
SCHEMBL2576084 0.99 EPHX2 (0.43) EPHX2CA2CA4NOD1GNPAT
SCHEMBL2576082 0.99 EPHX2 (0.43) EPHX2CA2CA4NOD1GNPAT
SCHEMBL3338513 0.97 EPHX2 (0.43) EPHX2CA2CA4NOD1GNPAT
SCHEMBL3338505 0.97 EPHX2 (0.43) EPHX2CA2CA4NOD1GNPAT
SCHEMBL2577879 0.87 FOLH1 (0.50) EPHX2NOD1GNPATFOLH1
SCHEMBL2577881 0.87 FOLH1 (0.50) EPHX2NOD1GNPATFOLH1
SCHEMBL2581219 0.87 FOLH1 (0.45) NOD1GNPATSLC6A5FNTAFNTB
SCHEMBL2581221 0.87 FOLH1 (0.45) NOD1GNPATSLC6A5FNTAFNTB
SCHEMBL4425978 0.86 EPHX2 (0.37) EPHX2CA2CA4NOD1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO EPHX2 1159/4885CA2 931/4885CA4 1632/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO EPHX2 1812/4885CA2 929/4885CA4 1436/4885

“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.