SCHEMBL3516265

SCHEMBL3516265

CCC(S)C(S)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
FFAR3 O14843 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
MAPT P10636 2/20 0.34
GABRR1 P24046 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL29961107 0.86 SLC22A6 (0.50) SLC22A6TDP1SMN1; SMN2MAPTGABRR1
SCHEMBL6898498 0.82 SLC22A6 (0.38) SLC22A6FFAR3TDP1MMEACE
SCHEMBL1162350 0.78 MAPT (0.35) SLC22A6FFAR3TDP1MMEACE
SCHEMBL3517272 0.77 SLC22A6 (0.33) SLC22A6FFAR3TDP1MMEACE
SCHEMBL869031 0.76
SCHEMBL868565 0.76
Hydrochloric Acid SCHEMBL7710360 0.74 SLC22A6 (0.39) SLC22A6TDP1MMEACECPA1
SCHEMBL28605820 0.74
Hydrochloric Acid SCHEMBL7710602 0.74
SCHEMBL3516012 0.73 FOLH1 (0.35) SLC22A6TDP1MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 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 (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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS SULT1E1, SULT1A1, TST SLC22A6 2624/4885FFAR3 855/4885TDP1 3395/4885

“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.