SCHEMBL2786552

SCHEMBL2786552

COC(=O)Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.63
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
THRB P10828 3/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL29961027 0.91 HSP90AB1 (0.58) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL28118610 0.91 HSP90AB1 (0.58) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL7069525 0.90 HSP90AB1 (0.56) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL7073645 0.88 HSP90AB1 (0.54) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL31075998 0.88 HSP90AB1 (0.54) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL1525224 0.88 HSP90AB1 (0.54) HSP90AB1ALDH1A1GAAGFERKMT2A
SCHEMBL5283381 0.87 THRA (0.52) HSP90AB1TRPV1THRBTHRAPPARG
SCHEMBL1302419 0.85 HSP90AB1 (0.51) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL20599232 0.85 HSP90AB1 (0.51) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL12678868 0.85 HSP90AB1 (0.58) HSP90AB1ALDH1A1GAAGFERCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
EP-1862450-A2 Novel compounds KARO BIO AB (SE) 2007-12-05 EP disclosed
EP-1537073-B1 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KAROBIO AB (SE) 2007-09-12 EP disclosed
US-7220752-B2 Compounds active at the glucocorticoid receptor II KARO BIO AB (SE) 2007-05-22 US disclosed
US-20060135614-A1 Novel compounds NORIN, THOMAS ANDERS WILSON (SE) 2006-06-22 US disclosed
EP-1509188-A4 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR II KAROBIO AB (SE) 2005-11-23 EP disclosed
EP-1537073-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2005-06-08 EP disclosed
EP-1509188-A2 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR II KARO BIO AB (SE) 2005-03-02 EP disclosed
EP-1143948-A3 LIVER-SELECTIVE GLUCOCORTICOID ANTAGONIST FOR TREATING DIABETES KARO BIO AB (SE) 2002-09-11 EP disclosed
WO-2002043648-A2 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR II KARO BIO AB (SE) 2002-06-06 WO disclosed
WO-2002044120-A1 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR III KARO BIO AB (SE) 2002-06-06 WO disclosed
EP-1185229-A1 METHOD OF TREATING HAIR LOSS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-03-13 EP disclosed
EP-1143948-A2 LIVER-SELECTIVE GLUCOCORTICOID ANTAGONIST FOR TREATING DIABETES KARO BIO AB (SE) 2001-10-17 EP disclosed
WO-2001047859-A1 COMPOUNDS ACTIVE AT THE GLUCOCORTICOID RECEPTOR KARO BIO AB (SE) 2001-07-05 WO disclosed
EP-1102739-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-30 EP disclosed
WO-2000072811-A1 METHOD OF TREATING HAIR LOSS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO disclosed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 WO disclosed
WO-1999063976-A2 LIVER-SELECTIVE GLUCOCORTICOID ANTAGONIST FOR TREATING DIABETES KARO BIO AB (SE) 1999-12-16 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 HSP90AB1 2019/4885ALDH1A1 2909/4885GAA 4699/4885
US-20060135614-A1 Novel compounds THRB, TSHR, THRA HSP90AB1 731/4885ALDH1A1 1777/4885GAA 3139/4885

“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.