SCHEMBL3133600

SCHEMBL3133600

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.40
THRA P10827 11/20 0.36
THRB P10828 11/20 0.36
PPARG P37231 2/20 0.34
ALOX5AP P20292 1/20 0.33
PCNA P12004 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
SCHEMBL3142258 0.90 THRA (0.36) ACSS2THRATHRBPPARGALOX5AP
SCHEMBL3130577 0.88 ACSS2 (0.40) ACSS2THRATHRBPPARG
SCHEMBL3128023 0.85 ACSS2 (0.35) ACSS2THRATHRBPPARGALOX5AP
SCHEMBL3136098 0.85 ACSS2 (0.35) ACSS2THRATHRBPPARGALOX5AP
SCHEMBL3127197 0.85 THRA (0.35) ACSS2THRATHRBPPARGALOX5AP
SCHEMBL5137902 0.81 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3142133 0.81 POLB (0.45) ACSS2THRATHRB
SCHEMBL3140982 0.80 ACSS2 (0.37) ACSS2THRATHRB
SCHEMBL3141076 0.80 THRA (0.48) ACSS2THRATHRB
SCHEMBL3137672 0.80 RAF1 (0.37) ACSS2THRATHRB

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US 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 ACSS2 519/4885THRA 4/4885THRB 6/4885

“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.