SCHEMBL3226580

SCHEMBL3226580

CCOC(=O)CN(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(-c3ccccc3)c2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.42
THRA P10827 9/20 0.42
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
RORC P51449 2/20 0.39
PPARG P37231 3/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3225821 0.93 THRB (0.40) THRBTHRAUSP2LMNARORC
SCHEMBL3793749 0.91 THRB (0.41) THRBTHRAUSP2LMNARORC
SCHEMBL3793748 0.88 THRB (0.43) THRBTHRAUSP2LMNARORC
SCHEMBL3955909 0.86 THRB (0.37) THRBTHRAUSP2LMNARORC
SCHEMBL3213016 0.85 THRB (0.38) THRBTHRAUSP2LMNARORC
SCHEMBL3224353 0.85 THRB (0.41) THRBUSP2LMNARORCKDM4E
SCHEMBL3226135 0.83 MAPT (0.43) THRBRORCKDM4EMAPTALDH1A1
SCHEMBL3233002 0.83 RORC (0.55) THRBTHRARORC
SCHEMBL3223228 0.83 THRB (0.36) THRBTHRAUSP2LMNARORC
SCHEMBL3222209 0.83 THRB (0.36) THRBTHRAUSP2LMNARORC

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 10 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
US-20100048550-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-02-25 US 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 2/4885USP2 3537/4885

“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.