SCHEMBL5509720

SCHEMBL5509720

O=C1NC(=O)C(=Cc2cccc(Oc3cccc(Cl)c3)c2)S1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.88
PIM1 P11309 5/20 0.80
PIM2 Q9P1W9 5/20 0.80
AKR1B1 P15121 4/20 0.79
CNR1 P21554 1/20 0.66
IGF1R P08069 1/20 0.65
HPGD P15428 2/20 0.63
MMP3 P08254 1/20 0.60
MMP13 P45452 1/20 0.60
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
CISD1 Q9NZ45 1/20 0.58

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
SCHEMBL5509719 1.00 ADAMTS5 (0.88) ADAMTS5PIM1PIM2AKR1B1CNR1
SCHEMBL7558360 0.94 ADAMTS5 (1.00) ADAMTS5PIM1PIM2AKR1B1CNR1
SCHEMBL7558356 0.94 ADAMTS5 (1.00) ADAMTS5PIM1PIM2AKR1B1CNR1
SCHEMBL1250346 0.89 PIM1 (1.00) ADAMTS5PIM1PIM2AKR1B1CNR1
SCHEMBL2548389 0.89 PIM1 (1.00) ADAMTS5PIM1PIM2AKR1B1CNR1
SCHEMBL1250348 0.89 PIM1 (1.00) ADAMTS5PIM1PIM2AKR1B1CNR1
SCHEMBL1248971 0.88 AKR1B1 (1.00) ADAMTS5PIM1PIM2AKR1B1HPGD
SCHEMBL1248969 0.88 AKR1B1 (1.00) ADAMTS5PIM1PIM2AKR1B1HPGD
SCHEMBL12891780 0.88 AKR1B1 (1.00) ADAMTS5PIM1PIM2AKR1B1HPGD
SCHEMBL1247917 0.84 AKR1B1 (0.81) ADAMTS5PIM1PIM2AKR1B1HPGD

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 ADAMTS5 4399/4885PIM1 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.