SCHEMBL4248142

SCHEMBL4248142

CCOP(=O)(CS(=O)(=O)OCC(C)(C)C)OCC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARD Q03181 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
SCHEMBL192086 0.82 TSHR (0.48) TSHRTP53TDP1PPARD
SCHEMBL13699278 0.77
SCHEMBL11543347 0.76 TSHR (0.41) TSHRTP53TDP1PPARD
SCHEMBL2313241 0.74 TSHR (0.48) TSHRTP53TDP1PPARD
SCHEMBL15966600 0.73 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL14052761 0.73 TSHR (0.43) TSHRTP53TDP1PPARD
SCHEMBL15800939 0.73 TSHR (0.39) TSHRTP53TDP1PPARD
SCHEMBL29095929 0.73 CYP2C19 (0.36) TSHRTDP1
SCHEMBL9961218 0.69 TSHR (0.52) TSHRTP53TDP1PPARD
SCHEMBL159202 0.69 TSHR (0.52) TSHRTP53TDP1PPARD

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-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) 2006-09-14 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-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same AGTR1, AGTR2, AGT TSHR 3566/4885TP53 3978/4885TDP1 1710/4885

“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.