SCHEMBL3140469

SCHEMBL3140469

CCc1nc(C)c2cc(Oc3c(Br)cc(C(=O)N[C@@H](C)C(=O)O)cc3Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.43
THRB P10828 13/20 0.43
FKBP4 Q02790 1/20 0.36
FKBP5 Q13451 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL3140462 1.00 THRA (0.43) THRATHRBFKBP4FKBP5ALDH1A1
SCHEMBL3141209 0.85 THRB (0.46) THRATHRBEGLN1
SCHEMBL3141933 0.80 THRA (0.42) THRATHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL3141938 0.80 THRA (0.42) THRATHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL3137202 0.79 THRA (0.38) THRATHRBFKBP4FKBP5ALDH1A1
SCHEMBL3137491 0.76 THRA (0.41) THRATHRB
SCHEMBL3137483 0.76 THRA (0.41) THRATHRB
SCHEMBL3140401 0.74 THRA (0.45) THRATHRB
SCHEMBL3140412 0.74 THRA (0.45) THRATHRB
SCHEMBL4527269 0.74 THRA (0.48) THRATHRBALDH1A1KDM4ESMN1; SMN2

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 1 patent. 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

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 6/4885FKBP4 3214/4885

“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.