SCHEMBL3228089

SCHEMBL3228089

O=C(O)CN(C(=O)Oc1ccc(O)cc1)c1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.49
THRA P10827 5/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL3222153 1.00 THRB (0.49) THRBTHRAALDH1A1KMT2AMAPT
SCHEMBL3226804 0.99 THRB (0.48) THRBTHRAALDH1A1KMT2AMAPT
SCHEMBL3224371 0.92 THRB (0.46) THRBTHRAALDH1A1KMT2A
SCHEMBL3209980 0.87 THRB (0.55) THRBTHRAALDH1A1KMT2A
SCHEMBL4377168 0.86 THRB (0.40) THRBTHRAALDH1A1KMT2AMAPT
SCHEMBL3223034 0.84 THRB (0.42) THRBTHRAALDH1A1
SCHEMBL3226062 0.83 THRB (0.49) THRBTHRAALDH1A1
SCHEMBL3228633 0.83 THRB (0.51) THRBTHRAALDH1A1KMT2A
SCHEMBL3213626 0.83 THRB (0.40) THRBTHRA
SCHEMBL3221316 0.82 THRB (0.50) THRBTHRAALDH1A1

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-8420851-B2 Selective TR-β 1 agonist CADILA HEALTHCARE LIMITED (IN) 2013-04-16 US claimed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP claimed
EP-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP claimed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed
US-8420851-B2 Selective TR-β 1 agonist CADILA HEALTHCARE LIMITED (IN) 2013-04-16 US disclosed
EP-2079678-B1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LTD (IN) 2012-12-19 EP disclosed
US-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-02-25 US disclosed
EP-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP disclosed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 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 (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-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST THRB, THRA, TSHR THRB 1/4885THRA 2/4885ALDH1A1 1801/4885

“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.