SCHEMBL6738420

SCHEMBL6738420

Cc1cc(NCCC(=O)O)cc(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.44
THRB P10828 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL6735850 0.89 THRA (0.50) THRATHRBGAASMN1; SMN2
SCHEMBL6735849 0.89 THRA (0.50) THRATHRBGAASMN1; SMN2
SCHEMBL1642319 0.86 THRA (0.59) THRATHRB
SCHEMBL6854527 0.85 THRA (0.45) THRATHRBL3MBTL1MMP2MMP9
SCHEMBL1642407 0.84 THRA (0.58) THRATHRB
SCHEMBL6853009 0.84 THRA (0.45) THRATHRBSMN1; SMN2MMP2MMP9
SCHEMBL6861254 0.83 THRA (0.45) THRATHRBL3MBTL1GAAALDH1A1
SCHEMBL6852992 0.83 THRA (0.57) THRATHRBGAAALDH1A1
SCHEMBL1641960 0.82 THRA (0.48) THRATHRBGAA
SCHEMBL6661895 0.82 THRA (0.67) 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 13 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
US-6790978-B2 4-HYDROXY-3-ARYLSULFONYL, 3-AMINOSULFONYL OR 3-AMINOCARBONYL-PHENOXYANILINOCARBONYL-OPTIONAL ALKYLENE-CARBOXYLIC ACID OR CARBONYL-5-TETRAZOLES NOVARTIS AG (CH) 2004-09-14 US disclosed
US-6689896-B2 AMIC ACID DERIVATIVES NOVARTIS AG (CH) 2004-02-10 US disclosed
US-6599942-B1 Method of lowering LDL cholesterol and Lipoprotein a levels in mammals using such compounds NOVARTIS AG (CH) 2003-07-29 US disclosed
US-20020107390-A1 Thyromimetic organic compounds KUKKOLA PAIVI J (US) 2002-08-08 US disclosed
US-20020045751-A1 Thyromimetic organic compounds NOVARTIS AG (CH) 2002-04-18 US disclosed
EP-1165502-A1 DIARYL DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2002-01-02 EP disclosed
WO-2000058279-A1 DIARYL DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-10-05 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 (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 7/4885L3MBTL1 154/4885
US-20020107390-A1 Thyromimetic organic compounds TSHR, NR1H3, NR1H2 THRA 4/4885THRB 5/4885L3MBTL1 348/4885

“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.