SCHEMBL4933522

SCHEMBL4933522

Oc1cc(O)c(-c2noc3ccccc23)cc1Br

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.72
ESR2 Q92731 18/20 0.72
HSP90AA1 P07900 5/20 0.72

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
SCHEMBL3928263 0.84 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL28543077 0.79 ESR1 (0.54) ESR1ESR2HSP90AA1
SCHEMBL14261867 0.77 ESR1 (0.72) ESR1ESR2HSP90AA1
SCHEMBL4932005 0.76 ESR1 (0.56) ESR1ESR2HSP90AA1
SCHEMBL4931111 0.76 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL5992116 0.75 ESR1 (0.59) ESR1ESR2HSP90AA1
SCHEMBL4931049 0.75 ESR1 (0.48) ESR1ESR2HSP90AA1
SCHEMBL10660005 0.74 ESR1 (0.52) ESR1ESR2HSP90AA1
SCHEMBL4933001 0.73 ESR1 (0.52) ESR1ESR2HSP90AA1
SCHEMBL4928549 0.72 ESR1 (0.51) ESR1ESR2

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
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US claimed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
EP-1861381-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSTIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-12-05 EP disclosed
WO-2006090052-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-31 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-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer UGT2B7, UGT2B17, CYP4X1 ESR1 2306/4885ESR2 987/4885HSP90AA1 1416/4885

“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.