SCHEMBL7843773

SCHEMBL7843773

NC(=O)CNC(=O)CCCCC1CCSS1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
TARDBP Q13148 2/20 0.74
ACHE P22303 4/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2C9 P11712 1/20 0.60
MEN1 O00255 1/20 0.60
NR1I2 O75469 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
THRB P10828 1/20 0.60
TSHR P16473 1/20 0.60
APEX1 P27695 1/20 0.60
RECQL P46063 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL12478414 1.00 KMT2A (0.74) KMT2ATARDBPACHEHSD17B10CYP2C9
SCHEMBL15123829 0.88 KMT2A (0.65) KMT2ATARDBPACHEHSD17B10CYP2C9
SCHEMBL15123831 0.88 KMT2A (0.65) KMT2ATARDBPACHEHSD17B10CYP2C9
SCHEMBL7844379 0.87 HSD17B10 (0.71) KMT2ATARDBPACHEHSD17B10CYP2C9
SCHEMBL17265767 0.87 HSD17B10 (0.71) KMT2ATARDBPACHEHSD17B10CYP2C9
SCHEMBL22389375 0.86 ACHE (0.66) KMT2ATARDBPACHEHSD17B10CYP2C9
Thioctic Acid Amide SCHEMBL4380181 0.86 KMT2A (1.00) KMT2ATARDBPACHEHSD17B10CYP2C9
Thioctic Acid Amide SCHEMBL41833 0.86 KMT2A (1.00) KMT2ATARDBPACHEHSD17B10CYP2C9
Thioctic Acid Amide SCHEMBL50599 0.86 KMT2A (1.00) KMT2ATARDBPACHEHSD17B10CYP2C9
Thioctic Acid Amide SCHEMBL13093778 0.86 KMT2A (1.00) KMT2ATARDBPACHEHSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127242-A1 N-LIPOIC-AMINO ACID OR PEPTIDE, DERIVATIVES AND THEIR USES NEOSTRATA COMPANY INC (US) 2022-04-28 US disclosed
US-11155531-B2 N-lipoic-amino acid or peptide, derivatives and their uses NEOSTRATA COMPANY, INC. (US) 2021-10-26 US disclosed
US-20190161467-A1 N-LIPOIC-AMINO ACID OR PEPTIDE, DERIVATIVES AND THEIR USES NEOSTRATA COMPANY, INC. 2019-05-30 US disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2013-07-25 US disclosed
WO-2012115695-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-08-30 WO disclosed
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
EP-1070710-A2 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 US disclosed
EP-0869126-A1 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 1998-10-07 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 (5 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-11155531-B2 N-lipoic-amino acid or peptide, derivatives and their uses CUTA, ALAD, NGLY1 KMT2A 4032/4885TARDBP 3172/4885ACHE 2805/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 KMT2A 4512/4885TARDBP 3181/4885ACHE 229/4885
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES FASN, ELOVL1, ELOVL5 KMT2A 1577/4885TARDBP 725/4885ACHE 1947/4885
US-20190161467-A1 N-LIPOIC-AMINO ACID OR PEPTIDE, DERIVATIVES AND THEIR USES CUTA, ALAD, NGLY1 KMT2A 4032/4885TARDBP 3172/4885ACHE 2805/4885
US-20220127242-A1 N-LIPOIC-AMINO ACID OR PEPTIDE, DERIVATIVES AND THEIR USES CUTA, ALAD, NACA KMT2A 4073/4885TARDBP 1583/4885ACHE 2394/4885

“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.