SCHEMBL5381973

SCHEMBL5381973

CC(Cl)C(=O)Nc1ccc(Oc2ccc(-c3c(Cl)cc(C=CC(=O)O)cc3Cl)cc2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.48
THRA P10827 7/20 0.48
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 2/20 0.37
MAPT P10636 2/20 0.35
AKR1C2 P52895 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.34
PTPN11 Q06124 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SRD5A2 P31213 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5388979 0.93 THRB (0.53) THRBTHRAPOLBGAAALDH1A1
SCHEMBL5385630 0.73 THRA (0.52) THRBTHRAPOLBGAAALDH1A1
SCHEMBL5387389 0.71 THRA (0.88) THRBTHRA
SCHEMBL5387103 0.71 THRB (0.64) THRBTHRAPOLBAKR1C3AKR1C2
SCHEMBL7174069 0.70 THRB (0.46) THRBTHRAPOLBGAAALDH1A1
SCHEMBL5388992 0.70 THRB (0.66) THRBTHRAPOLBALDH1A1MAPT
SCHEMBL5381969 0.69 THRB (0.59) THRBTHRAPOLBALDH1A1MAPT
SCHEMBL5385626 0.69 THRB (0.49) THRBTHRAALDH1A1MAPTKDM4E
SCHEMBL5387098 0.69 THRB (0.73) THRBTHRAPOLB
SCHEMBL7193319 0.67 THRB (0.47) THRBTHRAPOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US claimed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US claimed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP claimed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO claimed
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US disclosed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 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 (1 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-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB THRB 3/4885THRA 2/4885POLB 4495/4885

“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.