SCHEMBL5381968

SCHEMBL5381968

CC(C)C(=O)Nc1ccc(Oc2ccc(C(CCl)C(=O)O)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.48
FFAR1 O14842 1/20 0.47
MTNR1B P49286 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
F7 P08709 1/20 0.42
PNLIP P16233 3/20 0.42
ALDH1A1 P00352 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5388465 0.85 THRA (0.57) FFAR1MTNR1BMEN1KMT2AHTT
SCHEMBL5387101 0.79 THRA (0.52) FFAR1MEN1KMT2AMAPTLMNA
SCHEMBL7073270 0.78 RORC (0.52) FFAR1THRATHRB
SCHEMBL7069860 0.78 THRA (0.53) FFAR1THRATHRB
SCHEMBL5381972 0.75 MTNR1B (0.50) XIAPMTNR1BMEN1KMT2AHTT
SCHEMBL22069693 0.72 ESRRA (0.51) FFAR1MEN1KMT2AMAPTPNLIP
SCHEMBL18130988 0.71 MTNR1B (0.71) XIAPMTNR1BMEN1KMT2AHTT
SCHEMBL11135545 0.70 MEN1 (0.51) XIAPFFAR1MEN1KMT2AMAPT
SCHEMBL11205308 0.69 PNLIP (0.52) FFAR1MAPTPNLIPNPSR1ESRRA
SCHEMBL4359309 0.69 THRA (0.71) MTNR1BTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US claimed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US claimed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP claimed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO claimed
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US disclosed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 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 (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-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB XIAP 4458/4885FFAR1 37/4885MTNR1B 49/4885

“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.