SCHEMBL4254791

SCHEMBL4254791

C=CCSSCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
TRPA1 O75762 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 5/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCC4 O15439 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.37
FOLH1 Q04609 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BLM P54132 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
SCHEMBL4263860 0.82 ALDH1A1 (0.48) TSHRTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL15604713 0.82 ALDH1A1 (0.48) TSHRTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL15604714 0.82 TRPA1 (0.48) TSHRTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL131849 0.81
SCHEMBL95982 0.79 TSHR (1.00) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL17378039 0.79 ALDH1A1 (0.44) TSHRTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL16939931 0.77 TRPA1 (0.42) TSHRTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL15928853 0.77 TRPA1 (0.42) TSHRTRPA1ALDH1A1CYP3A4HPGD
Ammonia Solution, Strong SCHEMBL8958644 0.76 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL10457214 0.76 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1

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
WO-2009156466-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CTG PHARMA S.R.L. (IT) 2009-12-30 WO claimed
WO-2009109501-A2 OCULAR PHARMACEUTICAL COMPOSITIONS CTG PHARMA S.R.L. (IT) 2009-09-11 WO claimed
CN-118262766-A Power supply circuit and power supply method thereof 长江存储科技有限责任公司 2024-06-28 CN disclosed
WO-2024134235-A1 TREATMENT OF MYELOPEROXIDASE-POSITIVE ANCA-ASSOCIATED VASCULITIS WITH H2S RELEASING COMPOUNDS DEBRECENI EGYETEM (HU) 2024-06-27 WO disclosed
CN-115073439-B Pyrimidine compound and medical application thereof 徐州医科大学 2023-10-20 CN disclosed
CN-115073439-A Pyrimidine compound and medical application thereof 徐州医科大学 2022-09-20 CN disclosed
US-9242009-B2 Compositions and methods to treat neurodegenerative diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 US disclosed
US-20150209438-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION 2015-07-30 US disclosed
WO-2009156466-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CTG PHARMA S.R.L. (IT) 2009-12-30 WO disclosed
WO-2009109501-A2 OCULAR PHARMACEUTICAL COMPOSITIONS CTG PHARMA S.R.L. (IT) 2009-09-11 WO 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 (1 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-20150209438-A1 COMPOSITIONS AND METHODS TO TREAT NEURODEGENERATIVE DISEASES PSEN2, SNCA, PSEN1 TSHR 4818/4885TRPA1 3595/4885ALDH1A1 3257/4885

“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.