SCHEMBL5504425

SCHEMBL5504425

O=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)S1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 8/20 0.77
PIM1 P11309 2/20 0.57
PIM2 Q9P1W9 2/20 0.57
MAPT P10636 2/20 0.56
MCL1 Q07820 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GFER P55789 1/20 0.56
HPGD P15428 4/20 0.55
CYP3A4 P08684 1/20 0.54
TTR P02766 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
PTPN1 P18031 1/20 0.53
GSK3B P49841 1/20 0.52

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
SCHEMBL5504421 1.00 ESRRA (0.77) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL8271091 0.87 ESRRA (1.00) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL5507657 0.87 ESRRA (1.00) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL5507653 0.87 ESRRA (1.00) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL5505362 0.83 ESRRA (0.78) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL8271633 0.83 ESRRA (0.78) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL5505359 0.83 ESRRA (0.78) ESRRAPIM1PIM2MAPTMCL1
SCHEMBL13846830 0.82 ADAMTS5 (0.69) ESRRAHPGDCISD1GSK3B
SCHEMBL31090851 0.79 LMNA (0.62) MAPTNPSR1MEN1ALDH1A1LMNA
SCHEMBL14677574 0.79 LMNA (0.62) MAPTNPSR1MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781271-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP claimed
WO-2006019741-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 WO claimed
US-20060014812-A1 Use of estrogen related receptor-modulating aryl ethers JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-19 US claimed
EP-1781271-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006019741-A1 ARYLIDENES FOR THE TREATMENT OF ESTROGEN RELATED RECEPTOR-ALPHA MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 WO disclosed
US-20060014812-A1 Use of estrogen related receptor-modulating aryl ethers JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-19 US 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-20060014812-A1 Use of estrogen related receptor-modulating aryl ethers ESR2, ESRRG, GPER1 ESRRA 5/4885PIM1 4500/4885PIM2 4143/4885

“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.