SCHEMBL3334159

SCHEMBL3334159

C=CCCOBOCCC=C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL1580938 0.82 TSHR (0.39) CA2CA9TSHRALDH1A1
SCHEMBL8009753 0.70 TSHR (0.58) TSHRALDH1A1
SCHEMBL76625 0.69
SCHEMBL13211869 0.69
SCHEMBL27141 0.67
SCHEMBL1014584 0.67
SCHEMBL13284809 0.67 CA2 (0.42) CA2CA9TSHRALDH1A1
Phosphine SCHEMBL21227051 0.67 CA2 (0.42) CA2CA9TSHRALDH1A1
SCHEMBL8731771 0.67 CA2 (0.42) CA2CA9TSHRALDH1A1
SCHEMBL17052578 0.67 CA2 (0.42) CA2CA9TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748826-B2 Radioimaging methods using teboroxime and thallium BIOSENSOR INTERNATIONAL GROUP, LTD. (BM) 2014-06-10 US disclosed
US-20140037541-A1 RADIOIMAGING METHODS USING TEBOROXIME AND THALLIUM BIOSENSOR INTERNATIONAL GROUP LTD. (BM) 2014-02-06 US disclosed
US-8610075-B2 Radioimaging applications of and novel formulations of teboroxime BIOSENSORS INTERNATIONAL GROUP LTD. (BM) 2013-12-17 US disclosed
US-8481946-B2 2013-07-09 US disclosed
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME Spectrum Dynamics Medical Limited (VG) 2010-06-10 US disclosed
WO-2008059489-A2 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME SPECTRUM DYNAMICS LLC (US) 2008-05-22 WO disclosed
EP-0199260-B1 BORONIC ACID ADDUCTS OF TECHNETIUM-99M DIOXIME COMPLEXES E.R. Squibb & Sons, Inc. (US) 1989-12-06 EP disclosed
US-4705849-A Boronic acid adducts of technetium-99m dioxime complexes E. R. SQUIBB & SONS, INC. (US) 1987-11-10 US disclosed
EP-0199260-A2 Boronic acid adducts of technetium-99M dioxime complexes E.R. Squibb & Sons, Inc. (US) 1986-10-29 EP 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 (2 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-20140037541-A1 RADIOIMAGING METHODS USING TEBOROXIME AND THALLIUM TPO, THRB, SLC6A12 CA2 1823/4885CA9 847/4885TSHR 51/4885
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME TNNI3, TNNT2, IDO1 CA2 3274/4885CA9 882/4885TSHR 254/4885

“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.