SCHEMBL5398376

SCHEMBL5398376

CC(Cl)C(=O)Nc1ccc(Oc2c(Cl)cc(C(=Cc3ccccc3)C(=O)O)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.44
THRB P10828 7/20 0.40
THRA P10827 6/20 0.40
AKR1C1 Q04828 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1B P49286 1/20 0.38
RORC P51449 1/20 0.38
STK39 Q9UEW8 1/20 0.38

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
SCHEMBL5381969 0.86 THRB (0.59) THRBTHRAAKR1C1MEN1KMT2A
SCHEMBL5388975 0.79 THRB (0.65) THRBTHRAAKR1C1MEN1KMT2A
SCHEMBL10696484 0.75 SMN1; SMN2 (0.62) XIAPALDH1A1SMN1; SMN2MTNR1B
SCHEMBL5391906 0.73 LMNA (0.42) XIAPMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4359309 0.72 THRA (0.71) THRBTHRAMTNR1B
SCHEMBL5391909 0.71 ESR1 (0.42) XIAPTHRBMEN1KMT2AALDH1A1
SCHEMBL5394642 0.70 PGR (0.39) THRBTHRAAKR1C1MEN1KMT2A
SCHEMBL5381972 0.69 MTNR1B (0.50) XIAPTHRBTHRAMEN1KMT2A
SCHEMBL2516508 0.68 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL5398381 0.67 ALDH1A1 (0.42) XIAPMEN1KMT2AALDH1A1SMN1; SMN2

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 4458/4885THRB 3/4885THRA 2/4885

“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.