SCHEMBL3137672

SCHEMBL3137672

CCn1c(NS(C)(=O)=O)nc2ccc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
THRA P10827 11/20 0.35
THRB P10828 11/20 0.35
ACSS2 Q9NR19 4/20 0.35
S1PR1 P21453 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
SCHEMBL5135544 0.90 ACSS2 (0.37) RAF1BRAFTHRATHRBACSS2
SCHEMBL3142133 0.88 POLB (0.45) RAF1BRAFTHRATHRBACSS2
SCHEMBL3136098 0.85 ACSS2 (0.35) THRATHRBACSS2
SCHEMBL3128023 0.85 ACSS2 (0.35) THRATHRBACSS2
SCHEMBL3130577 0.83 ACSS2 (0.40) THRATHRBACSS2
SCHEMBL3140982 0.82 ACSS2 (0.37) RAF1BRAFTHRATHRBACSS2
SCHEMBL3142258 0.81 THRA (0.36) THRATHRBACSS2
SCHEMBL3127197 0.80 THRA (0.35) THRATHRBACSS2
SCHEMBL3133600 0.80 ACSS2 (0.40) THRATHRBACSS2
SCHEMBL5135834 0.80 THRA (0.31) THRATHRBACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR RAF1 1404/4885BRAF 800/4885THRA 4/4885

“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.