SCHEMBL4965036

SCHEMBL4965036

Cc1cc(NC(=O)C(C)C(=O)O)cc(C)c1Oc1ccc(O)c(C(=O)NCC2CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.46
THRA P10827 8/20 0.46
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MMP13 P45452 1/20 0.39

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
SCHEMBL4964532 0.95 THRB (0.53) THRBTHRANPC1
SCHEMBL7061486 0.86 THRA (0.46) THRBTHRANPC1POLB
SCHEMBL7030664 0.85 THRA (0.54) THRBTHRANPC1POLBMMP13
SCHEMBL7061230 0.85 POLB (0.45) THRBTHRANPC1POLBMMP13
SCHEMBL4961880 0.84 THRB (0.49) THRBTHRANPC1POLBMMP13
SCHEMBL6660237 0.84 THRA (0.52) THRBTHRANPC1POLB
SCHEMBL4965039 0.81 THRB (0.47) THRBTHRA
SCHEMBL7062788 0.81 THRA (0.50) THRBTHRA
SCHEMBL6676555 0.80 THRB (0.53) THRBTHRANPC1POLB
SCHEMBL1640667 0.80 THRA (0.69) 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 1/4885NPC1 1733/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885NPC1 1733/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR THRB 4/4885THRA 1/4885NPC1 1575/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB THRB 3/4885THRA 1/4885NPC1 1456/4885

“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.