SCHEMBL3517111

SCHEMBL3517111

CCCC[Sn+3].O=C([O-])C(S)CCS.O=C([O-])C(S)CCS.O=C([O-])C(S)CCS

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 5/20 0.39
NFKB1 P19838 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR84 Q9NQS5 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31

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
SCHEMBL3517622 0.93 CA2 (0.43) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL3519428 0.93 CA2 (0.43) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL10332228 0.86 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL6465618 0.86 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL5829181 0.82 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL5829518 0.82 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL5829994 0.82 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL5829515 0.82 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL11042185 0.82 CA2 (0.50) CA1CA2NFKB1GPR84CES2
SCHEMBL4153925 0.81 CA1 (0.44) CA1CA2NFKB1CYP3A4TSHR

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 CA1 4793/4885CA2 4833/4885NFKB1 3819/4885

“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.