SCHEMBL3227779

SCHEMBL3227779

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 4/20 0.36
RORC P51449 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
MAPK1 P28482 1/20 0.33
PLA2G2A P14555 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.33
POLB P06746 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL3231826 0.93 ALDH1A1 (0.37) TSHRF2F10MEN1KMT2A
SCHEMBL3227818 0.92 TSHR (0.39) TSHRMEN1KMT2ATHRBRORC
SCHEMBL3216081 0.89 F2 (0.39) TSHRF2F10MEN1KMT2A
SCHEMBL3224530 0.87 POLB (0.45) TSHRMEN1KMT2ATHRBRORC
SCHEMBL3213016 0.86 THRB (0.38) MEN1KMT2ATHRBRORCALDH1A1
SCHEMBL3232905 0.86 POLB (0.52) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL3230921 0.86 ALDH1A1 (0.41) THRBRORCALDH1A1LMNATHRA
SCHEMBL3224372 0.85 MAPT (0.40) TSHRMEN1KMT2ATHRBRORC
SCHEMBL3226140 0.85 POLB (0.43) TSHRMEN1KMT2AALDH1A1USP2
SCHEMBL3230598 0.84 KCNK3 (0.38) KMT2ATHRBRORCALDH1A1TUBB1

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 8 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
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 TSHR 3/4885F2 3315/4885F10 3240/4885

“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.