SCHEMBL3137202

SCHEMBL3137202

CCc1nc(C)c2cc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.38
THRB P10828 15/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35

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
SCHEMBL3136450 0.84 THRA (0.38) THRATHRBPPARGKDM4E
SCHEMBL3131333 0.82 THRA (0.39) THRATHRBPPARG
SCHEMBL3140915 0.81 THRA (0.38) THRATHRBPPARGKDM4E
SCHEMBL3140462 0.79 THRA (0.43) THRATHRBALDH1A1HPGDGAA
SCHEMBL3140469 0.79 THRA (0.43) THRATHRBALDH1A1HPGDGAA
SCHEMBL3141231 0.77 THRA (0.38) THRATHRBPPARG
SCHEMBL3133621 0.77 THRA (0.39) THRATHRBPPARG
SCHEMBL3141209 0.77 THRB (0.46) THRATHRB
SCHEMBL3127197 0.75 THRA (0.35) THRATHRBPPARG
SCHEMBL3142258 0.74 THRA (0.36) THRATHRBPPARG

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 2 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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 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 THRA 4/4885THRB 6/4885ALDH1A1 1081/4885

“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.