SCHEMBL3141933

SCHEMBL3141933

CCc1c2cc(Oc3c(Br)cc(C(=O)NC(C)C(=O)O)cc3Br)ccc2nn1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.42
THRB P10828 14/20 0.42
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR132 Q9UNW8 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
SCHEMBL3141938 1.00 THRA (0.42) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL3140469 0.80 THRA (0.43) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL3140462 0.80 THRA (0.43) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL3137145 0.75 THRB (0.41) THRATHRB
SCHEMBL3137491 0.73 THRA (0.41) THRATHRB
SCHEMBL3137483 0.73 THRA (0.41) THRATHRB
SCHEMBL4527269 0.72 THRA (0.48) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL3145862 0.69 THRA (0.40) THRATHRB
SCHEMBL3141231 0.69 THRA (0.38) THRATHRB
SCHEMBL3919564 0.68 THRA (0.47) THRATHRBKDM4EALDH1A1SMN1; 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 6/4885KDM4E 1562/4885

“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.