SCHEMBL4887028

SCHEMBL4887028

Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 1.00
THRB P10828 14/20 1.00
ESR1 P03372 1/20 0.77
NR3C1 P04150 1/20 0.77
PGR P06401 1/20 0.77
NR3C2 P08235 1/20 0.77
AR P10275 1/20 0.77
FFAR1 O14842 6/20 0.53
FFAR4 Q5NUL3 4/20 0.53
AKR1B1 P15121 1/20 0.47

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
SCHEMBL4363817 0.87 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL5072110 0.87 THRA (0.81) THRATHRBESR1NR3C1PGR
SCHEMBL4898980 0.87 THRA (1.00) THRATHRBESR1NR3C1PGR
SCHEMBL5717986 0.86 THRA (0.74) THRATHRBESR1NR3C1PGR
SCHEMBL4896873 0.86 THRA (1.00) THRATHRBESR1NR3C1PGR
SCHEMBL4891205 0.85 THRA (1.00) THRATHRBESR1NR3C1PGR
SCHEMBL4898421 0.85 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4898968 0.85 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4362435 0.83 THRA (0.70) THRATHRBESR1NR3C1PGR
SCHEMBL4896330 0.82 THRA (0.74) THRATHRBESR1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005538-B1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2006-02-28 US claimed
WO-2001036365-A2 THYROID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIAC AND METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-25 WO claimed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
US-7005538-B1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2006-02-28 US disclosed
US-20050267206-A1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders MALM JOHAN 2005-12-01 US disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 WO disclosed
WO-2001036365-A2 THYROID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIAC AND METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-25 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-20050267206-A1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders TSHR, THRB, THRA THRA 3/4885THRB 2/4885ESR1 1026/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 THRA 559/4885THRB 792/4885ESR1 58/4885

“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.