SCHEMBL3517267

SCHEMBL3517267

CC(S)C(CS)C(=O)[O-].CC(S)C(CS)C(=O)[O-].CC(S)C(CS)C(=O)[O-].CCCCCCCC[Sn+3]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.39
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
EPHX1 P07099 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL3518766 1.00 CA1 (0.41) CA1CA2CES2CES1EPHX1
SCHEMBL3521472 0.93 CA1 (0.39) CA1CA2CES2CES1
SCHEMBL11909931 0.84 CA1 (0.49) CA1CA2GPR84
SCHEMBL6661209 0.84 CA1 (0.49) CA1CA2GPR84
SCHEMBL3269704 0.83 CA1 (0.48) CA1CA2CES2CES1EPHX1
SCHEMBL3520573 0.83 CA1 (0.40) CA1CA2CES2CES1GPR84
SCHEMBL3520045 0.79 CA1 (0.38) CA1CA2
SCHEMBL4196107 0.79 CA1 (0.52) CA1CA2CES2CES1EPHX1
L-Lactic Acid SCHEMBL6072494 0.77 CA1 (0.50) CA1CA2CES2CES1EPHX1
SCHEMBL6129212 0.77 FABP3 (0.45) CA1LMNAFAAH

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 CA1 4793/4885CA2 4833/4885CES2 1052/4885

“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.