SCHEMBL3277545

SCHEMBL3277545

CC(NC(=O)CCCCC(S)CCS)S(=O)(=O)O.[KH]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
FAAH O00519 2/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
PLA2G10 O15496 2/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
PGGT1B P53609 1/20 0.30
NOD1 Q9Y239 1/20 0.30
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL3277342 0.99 KMT2A (0.36) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL3278899 0.97 KMT2A (0.35) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL3337614 0.97 KMT2A (0.35) KMT2AFAAHMEN1MAPK1PLA2G10
Potassium Ion SCHEMBL19951026 0.84 FAAH (0.34) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL19950982 0.84 FAAH (0.34) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL2582839 0.82 KMT2A (0.53) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL3341655 0.80 FNTA (0.34) FNTAFNTB
SCHEMBL2576072 0.80 KMT2A (0.51) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL4622252 0.79 KMT2A (0.44) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL4419239 0.79 KMT2A (0.44) KMT2AFAAHMEN1MAPK1PLA2G10

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 KMT2A 2439/4885FAAH 1636/4885MEN1 1715/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO KMT2A 2257/4885FAAH 1603/4885MEN1 1581/4885

“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.