SCHEMBL7841850

SCHEMBL7841850

NC(=O)CCCC1CCSS1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.89
TARDBP Q13148 2/20 0.89
HSD17B10 Q99714 2/20 0.66
CYP2C9 P11712 1/20 0.66
MEN1 O00255 1/20 0.66
NR1I2 O75469 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
THRB P10828 1/20 0.66
TSHR P16473 1/20 0.66
ACHE P22303 1/20 0.66
APEX1 P27695 1/20 0.66
RECQL P46063 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66

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
Thioctic Acid Amide SCHEMBL4380181 0.94 KMT2A (1.00) KMT2ATARDBPHSD17B10CYP2C9MEN1
Thioctic Acid Amide SCHEMBL41833 0.94 KMT2A (1.00) KMT2ATARDBPHSD17B10CYP2C9MEN1
Thioctic Acid Amide SCHEMBL50599 0.94 KMT2A (1.00) KMT2ATARDBPHSD17B10CYP2C9MEN1
Thioctic Acid Amide SCHEMBL13093778 0.94 KMT2A (1.00) KMT2ATARDBPHSD17B10CYP2C9MEN1
Thioctic Acid Amide SCHEMBL28076123 0.93 KMT2A (0.96) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL27494633 0.93 KMT2A (0.96) KMT2ATARDBPHSD17B10CYP2C9MEN1
Thioctic Acid Amide SCHEMBL16653981 0.93 KMT2A (0.96) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL29249630 0.93 KMT2A (0.96) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL7842547 0.90 KMT2A (0.73) KMT2ATARDBPHSD17B10CYP2C9MEN1
Thioctic Acid Amide SCHEMBL3400641 0.88 KMT2A (0.87) KMT2ATARDBPHSD17B10CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653668-B2 Compounds for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production OP2 Drugs (FR) 2020-05-19 US disclosed
US-20190274997-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-09-12 US disclosed
US-10272066-B2 Compounds for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production UNIVERSITÉ DE BORDEAUX (FR) 2019-04-30 US disclosed
WO-2017042267-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION ORPHAN PARTNERS 2 (FR) 2017-03-16 WO disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 US disclosed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 US disclosed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 US disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 US disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 US disclosed
WO-2008110585-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS PRENDERGAST PATRICK T (AU) 2008-09-18 WO disclosed
WO-2007131973-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM PRENDERGAST PATRICK T (AU) 2007-11-22 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 (8 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-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 KMT2A 1469/4885TARDBP 4019/4885HSD17B10 3624/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 KMT2A 2229/4885TARDBP 1824/4885HSD17B10 764/4885
US-10653668-B2 Compounds for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production FH, TXNRD2, TXN2 KMT2A 3925/4885TARDBP 485/4885HSD17B10 381/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 KMT2A 2229/4885TARDBP 1824/4885HSD17B10 764/4885
US-20190274997-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION FH, TXNRD2, TXN2 KMT2A 3925/4885TARDBP 485/4885HSD17B10 381/4885
US-20090156546-A1 Compositions and methods for modulating the immune system MRE11, XPA, MPL KMT2A 1389/4885TARDBP 4624/4885HSD17B10 3484/4885
US-10272066-B2 Compounds for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production FH, TXNRD2, TXN2 KMT2A 3925/4885TARDBP 485/4885HSD17B10 381/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL KMT2A 1389/4885TARDBP 4624/4885HSD17B10 3484/4885

“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.