SCHEMBL2043784

SCHEMBL2043784

CC(C)c1cc(Oc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.78
THRA P10827 14/20 0.78
RORC P51449 1/20 0.59

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
SCHEMBL2042956 0.91 THRB (0.69) THRBTHRARORC
SCHEMBL4964368 0.90 THRB (0.63) THRBTHRARORC
SCHEMBL4962611 0.87 THRA (1.00) THRBTHRA
Eprotirome SCHEMBL29357083 0.86 THRA (1.00) THRBTHRA
Eprotirome SCHEMBL759034 0.86 THRA (1.00) THRBTHRA
SCHEMBL6903277 0.86 THRA (0.77) THRBTHRA
SCHEMBL6064868 0.86 THRA (0.79) THRBTHRA
SCHEMBL8894466 0.85 THRA (0.71) THRBTHRA
SCHEMBL2043896 0.84 THRA (0.86) THRBTHRA
SCHEMBL4962115 0.84 THRB (0.55) THRBTHRARORC

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2003-08-21 US claimed
US-7956214-B2 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2011-06-07 US disclosed
US-7956214-B2 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2011-06-07 US 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-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands CHIDAMBARAM RAMAKRISHNAN 2009-12-31 US disclosed
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands CHIDAMBARAM RAMAKRISHNAN 2009-12-31 US disclosed
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 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-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-04-22 US disclosed
US-6664291-B2 Aromatic amidealkyl acid or ester or amide or hydroxy derivatives are useful in the treatment of obesity, overweight condition, hyperlipidemia, glucoma, cardiac arrhythmias, thyroid disease, skin disoders and diabetes PFIZER, INC. 2003-12-16 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
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 US disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 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 (6 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-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885RORC 598/4885
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885RORC 582/4885
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885RORC 582/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885RORC 635/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB THRB 3/4885THRA 1/4885RORC 672/4885
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885RORC 582/4885

“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.