SCHEMBL2926744

SCHEMBL2926744

OCCc1cc(Cl)c(S)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.37
CA2 P00918 1/20 0.36
IDO1 P14902 1/20 0.33
PNMT P11086 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
IGF1R P08069 1/20 0.31
ALOX15 P16050 1/20 0.31
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL13116413 0.80 ACHE (0.42) KDM4EIDO1
SCHEMBL2927011 0.78 HSD17B10 (0.48) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL20574550 0.74 TDP1 (0.36) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL63871 0.73 TDP1 (0.53) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL2249765 0.72 TSHR (0.44) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL908524 0.71 PNMT (0.61) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2299809 0.71 ALDH1A1 (0.47) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL29434697 0.71 ALDH1A1 (0.47) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL27690726 0.71 CYP1A2 (0.41) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL20019870 0.69 PTGS1 (0.38) TDP1KDM4EALDH1A1ALOX5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
EP-1919878-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. Hoffmann-Roche AG (CH) 2008-05-14 EP disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
WO-2007009913-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
WO-2007009913-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO 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-20090005383-A1 THYROID HORMONE ANALOGS THRA, THRB, TPO TDP1 1115/4885KDM4E 2764/4885ALDH1A1 991/4885
US-20070032494-A1 Thyroid hormone analogs THRA, THRB, TPO TDP1 1115/4885KDM4E 2764/4885ALDH1A1 991/4885

“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.