SCHEMBL2044734

SCHEMBL2044734

CC(C)c1cc(Oc2c(Br)cc(N)cc2Br)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.71
THRB P10828 14/20 0.71

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
SCHEMBL3156067 0.89 THRA (0.72) THRATHRB
SCHEMBL4962867 0.87 THRA (0.69) THRATHRB
SCHEMBL21127688 0.86 THRA (0.68) THRATHRB
SCHEMBL4962653 0.85 THRB (0.63) THRATHRB
SCHEMBL7073346 0.84 THRA (0.73) THRATHRB
SCHEMBL7074654 0.84 THRA (0.73) THRATHRB
SCHEMBL5619285 0.83 THRA (1.00) THRATHRB
SCHEMBL7069926 0.83 THRA (0.71) THRATHRB
SCHEMBL5618672 0.82 THRA (0.73) THRATHRB
SCHEMBL5619222 0.81 THRA (0.77) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
US-7956214-B2 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2011-06-07 US disclosed
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands CHIDAMBARAM RAMAKRISHNAN 2009-12-31 US disclosed
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2005-03-10 US disclosed
US-6806381-B2 SUCH AS N-(3,5-DIBROMO-4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-PHENYL)-MALONAMIC ACID; FOR TREATMENT OF THYROID DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-10-19 US disclosed
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2003-08-21 US disclosed
WO-2003039456-A2 PROCESS FOR THE PREPARATION OF ANILINE-DERIVED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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 (4 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 THRA 4639/4885THRB 4410/4885
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB THRA 2/4885THRB 3/4885
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB THRA 2/4885THRB 3/4885
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB THRA 2/4885THRB 3/4885

“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.