SCHEMBL4965810

SCHEMBL4965810

CCOC(=O)CC(=O)Nc1cc(C)c(Oc2ccc(O)c(S(=O)(=O)NC3CCC3)c2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.65
THRA P10827 6/20 0.65
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX1 P07099 3/20 0.40
EPHX2 P34913 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 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
SCHEMBL4961785 0.96 THRB (0.59) THRBTHRACNR1CNR2EPHX1
SCHEMBL1642148 0.91 THRB (0.76) THRBTHRA
SCHEMBL6663646 0.90 THRB (0.58) THRBTHRACNR1CNR2LMNA
SCHEMBL6661457 0.88 THRB (0.56) THRBTHRACNR1CNR2MEN1
SCHEMBL6657934 0.88 THRB (0.55) THRBTHRACNR1CNR2MEN1
SCHEMBL1640725 0.88 THRB (0.84) THRBTHRAEPHX1EPHX2MEN1
SCHEMBL4961712 0.87 THRB (0.73) THRBTHRAEPHX1EPHX2
SCHEMBL6660463 0.86 THRB (0.55) THRBTHRA
SCHEMBL4961486 0.86 THRB (0.79) THRBTHRAEPHX1EPHX2MEN1
SCHEMBL6660665 0.85 THRB (0.61) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US disclosed
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2005-09-22 US disclosed
US-6924310-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. (US) 2005-08-02 US disclosed
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-04-22 US disclosed
US-6664291-B2 Aromatic amidealkyl acid or ester or amide or hydroxy derivatives are useful in the treatment of obesity, overweight condition, hyperlipidemia, glucoma, cardiac arrhythmias, thyroid disease, skin disoders and diabetes PFIZER, INC. 2003-12-16 US disclosed
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 US disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 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 (4 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-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885CNR1 835/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885CNR1 835/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885CNR1 749/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB THRB 3/4885THRA 1/4885CNR1 684/4885

“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.