SCHEMBL3518074

SCHEMBL3518074

CCCC[Sn+2]CCCC.O=C([O-])C(CS)CCS.O=C([O-])C(CS)CCS

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.44
NFKB1 P19838 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA1 P00915 4/20 0.38
MAPK1 P28482 1/20 0.32
CPB2 Q96IY4 2/20 0.31
FOLH1 Q04609 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL3519177 0.94 CA2 (0.49) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11878759 0.92 CA2 (0.55) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL9247328 0.89 CA2 (0.59) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11879863 0.89 CA2 (0.59) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL9068224 0.89 CA2 (0.59) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL7878112 0.87 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL8937003 0.87 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL6655133 0.87 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL4365094 0.87 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL27979198 0.84 CA2 (0.46) CA2NFKB1CYP3A4TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 US claimed
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 CA2 4833/4885NFKB1 3819/4885CYP3A4 1249/4885

“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.