SCHEMBL6106293

SCHEMBL6106293

CCOC(=O)COc1ccc2c(c1)CC1CCC(C2)C1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ADRB3 P13945 1/20 0.43
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC8 Q9BY41 9/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL8765787 0.87 POLB (0.50) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL9443701 0.84 ADRB3 (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL9443665 0.84 ADRB3 (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL9443694 0.84 ADRB3 (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL8729260 0.81 POLB (0.46) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL6108382 0.80 POLB (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL4730780 0.78 EPHX2 (0.44) ALDH1A1HDAC8
SCHEMBL8768125 0.77 POLB (0.40) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL8767235 0.77 POLB (0.40) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL8767229 0.77 POLB (0.40) POLBADRB3GAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 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-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 POLB 2081/4885ADRB3 3271/4885GAA 141/4885

“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.