SCHEMBL2787214

SCHEMBL2787214

COc1cccc(-c2cc(Oc3c(Cl)cc(C(=O)NCC(=O)O)cc3Cl)ccc2O)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.71
THRB P10828 14/20 0.71
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
HIF1A Q16665 1/20 0.44

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
SCHEMBL2786907 0.89 THRB (0.67) THRATHRBEPHX1EPHX2
SCHEMBL4426297 0.83 THRB (1.00) THRATHRB
SCHEMBL5619110 0.79 THRB (0.65) THRATHRBHIF1A
SCHEMBL4347525 0.79 THRB (0.49) THRATHRBHIF1A
SCHEMBL4356852 0.78 THRB (0.48) THRATHRBEPHX1EPHX2HIF1A
SCHEMBL4530357 0.77 THRA (0.71) THRATHRB
SCHEMBL2787486 0.76 THRB (0.64) THRATHRB
SCHEMBL4424982 0.73 THRB (0.81) THRATHRB
SCHEMBL3785584 0.73 THRB (0.59) THRATHRBEPHX1EPHX2
SCHEMBL2787292 0.73 THRB (0.71) THRATHRBEPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US claimed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20050004184-A1 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004093799-A2 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 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-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB THRA 2/4885THRB 3/4885KDM4E 3520/4885
US-20050004184-A1 Thyroid receptor ligands TSHR, THRA, THRB THRA 2/4885THRB 3/4885KDM4E 3520/4885

“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.