SCHEMBL7516945

SCHEMBL7516945

COc1ccc(S(=O)(=O)c2cc(Oc3c(C)cc(NC(=O)C(=O)O)cc3C)ccc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.59
THRB P10828 4/20 0.59
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7517348 0.93 THRA (0.60) THRATHRBALDH1A1GAAMEN1
SCHEMBL7512413 0.92 THRA (0.61) THRATHRBALDH1A1GAASMN1; SMN2
SCHEMBL1642407 0.91 THRA (0.58) THRATHRB
SCHEMBL6739880 0.91 THRA (0.58) THRATHRB
SCHEMBL7516887 0.89 THRA (0.58) THRATHRBALDH1A1GAASMN1; SMN2
SCHEMBL7513334 0.88 THRA (0.55) THRATHRB
SCHEMBL6664797 0.86 THRA (0.53) THRATHRB
SCHEMBL6659909 0.85 THRA (0.66) THRATHRB
SCHEMBL1640543 0.84 THRA (0.51) THRATHRB
SCHEMBL7061490 0.84 THRA (0.56) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540189-A 2002-11-26 JP claimed
US-20020107390-A1 Thyromimetic organic compounds KUKKOLA PAIVI J (US) 2002-08-08 US claimed
WO-2002032408-A2 COMBINATIONS OF A THYROMIMETIC COMPOUND AND A STATIN NOVARTIS AG (CH) 2002-04-25 WO claimed
US-20020045751-A1 Thyromimetic organic compounds NOVARTIS AG (CH) 2002-04-18 US claimed
EP-1165502-A1 DIARYL DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2002-01-02 EP claimed
WO-2000058279-A1 DIARYL DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-10-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020045751-A1 Thyromimetic organic compounds TPO, THRA, LPO THRA 2/4885THRB 7/4885ALDH1A1 475/4885
US-20020107390-A1 Thyromimetic organic compounds TSHR, NR1H3, NR1H2 THRA 4/4885THRB 5/4885ALDH1A1 3032/4885

“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.