SCHEMBL5117744

SCHEMBL5117744

CCS(=O)(=O)Nc1cc(C)cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.41
THRA P10827 9/20 0.41
DHODH Q02127 2/20 0.39
ACP1 P24666 1/20 0.38
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL5723850 0.95 THRB (0.38) THRBTHRADHODHACP1AR
SCHEMBL5109436 0.90 THRB (0.42) THRBTHRADHODHACP1AR
SCHEMBL5106635 0.89 THRA (0.38) THRBTHRAARNPC1POLB
SCHEMBL5112556 0.89 THRB (0.40) THRBTHRADHODHACP1AR
SCHEMBL5118488 0.89 ALDH1A1 (0.43) THRBTHRAARNPC1POLB
SCHEMBL5118576 0.88 ALDH1A1 (0.46) THRBTHRADHODHPOLBCYP1A2
SCHEMBL5722503 0.87 THRA (0.39) THRBTHRADHODHACP1NPC1
SCHEMBL5722751 0.86 THRB (0.34) THRBTHRADHODH
SCHEMBL5723856 0.86 ACP1 (0.34) THRBTHRADHODHACP1NPC1
SCHEMBL5109290 0.86 THRB (0.43) THRBTHRADHODHACP1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 US disclosed
EP-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA THRB 4/4885THRA 3/4885DHODH 4312/4885

“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.