SCHEMBL6902445

SCHEMBL6902445

O=C(CCCCC1CCSS1)NCCS(=O)(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.72
CA9 Q16790 1/20 0.72
ACHE P22303 11/20 0.55
HSD17B10 Q99714 2/20 0.55
KMT2A Q03164 2/20 0.55
TARDBP Q13148 2/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 1/20 0.55
NR1I2 O75469 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SAE1 Q9UBE0 1/20 0.55

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
SCHEMBL8522023 1.00 CA12 (0.72) CA12CA9ACHEHSD17B10KMT2A
Imidazole SCHEMBL7842242 0.86 CA12 (0.56) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL13834757 0.86 CA12 (0.74) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL14299002 0.85 CA12 (0.60) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL7839737 0.84 ACHE (0.75) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL8506206 0.84 CA12 (0.64) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL8507030 0.84 CA12 (0.64) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL7843204 0.83 CA12 (0.67) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL2379525 0.83 CA12 (0.66) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL14669959 0.83 CA12 (0.66) CA12CA9ACHEHSD17B10KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018996-A1 Unit dosage forms for the treatment of herpes simplex CHRONORX, LLC (US) 2004-01-29 US claimed
US-6524619-B2 Interdependent biofactors and biomolecules, such as minerals, vitamins and antioxidants and their clinically useful formulations for support of endothelial physiology of the inner ear CHRONORX, INC. 2003-02-25 US claimed
US-20020197313-A1 Unit dosage forms for the treatment of herpes simplex CHRONORX, LLC (US) 2002-12-26 US claimed
US-20010031737-A1 Unit dosage forms for the treatment of herpes simplex RICHARDSON KENNETH T (US) 2001-10-18 US claimed
US-6231889-B1 THIOL GLUTATHIONE WITH METALS CHRONORX, LLC 2001-05-15 US claimed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 US claimed
EP-4282411-A1 LIPOYL-GLU-ALA FOR THE TREATMENT OF NEURODEGENERATIVE DAMAGE CAUSED BY TRAUMATIC BRAIN INJURY Ischemix LLC (US) 2023-11-29 EP disclosed
WO-2023065550-A1 POLYDISULFIDE POLYPEPTIDE NANOPARTICLE, PREPARATION METHOD THEREFOR, AND POLYPEPTIDE DRUG ORAL PREPARATION 福州大学 2023-04-27 WO disclosed
US-11213509-B2 Compositions and methods for treating traumatic brain injury Ischemix, LLC (US) 2022-01-04 US disclosed
US-20200352904-A1 Compositions And Methods For Treating Traumatic Brain Injury ISCHEMIX LLC 2020-11-12 US disclosed
US-10744115-B2 Compositions and methods for treating traumatic brain injury ISCHEMIX LLC (US) 2020-08-18 US disclosed
EP-2640423-B1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY ISCHEMIX LLC (US) 2017-07-26 EP disclosed
US-9359325-B2 Lipoyl compounds and methods for treating ischemic injury ISCHEMIX LLC (US) 2016-06-07 US disclosed
US-8815937-B2 Lipoyl compounds and their use for treating ischemic injury ISCHEMIX LLC (US) 2014-08-26 US disclosed
US-20130237483-A1 Lipoyl Compounds And Their Use for Treating Ischemic Injury ISCHEMIX LLC 2013-09-12 US disclosed
US-20130237483-A1 Lipoyl Compounds And Their Use for Treating Ischemic Injury ISCHEMIX LLC 2013-09-12 US disclosed
WO-2012067947-A1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY ISCHEMIX LLC (US) 2012-05-24 WO disclosed
US-6524619-B2 Interdependent biofactors and biomolecules, such as minerals, vitamins and antioxidants and their clinically useful formulations for support of endothelial physiology of the inner ear CHRONORX, INC. 2003-02-25 US disclosed
US-20020061870-A1 Dosage forms useful for modifying conditions and functions associated with hearing loss and/or tinnitus CHRONORX, LLC 2002-05-23 US disclosed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 US 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-11213509-B2 Compositions and methods for treating traumatic brain injury BDNF, NLN, FABP7 CA12 2801/4885CA9 3690/4885ACHE 8/4885
US-20200352904-A1 Compositions And Methods For Treating Traumatic Brain Injury BDNF, NLN, FABP7 CA12 2801/4885CA9 3690/4885ACHE 8/4885
US-10744115-B2 Compositions and methods for treating traumatic brain injury BDNF, NLN, FABP7 CA12 2801/4885CA9 3690/4885ACHE 8/4885
US-20130237483-A1 Lipoyl Compounds And Their Use for Treating Ischemic Injury CPT1A, LIPG, LIPC CA12 2901/4885CA9 1601/4885ACHE 2328/4885

“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.