SCHEMBL6634835

SCHEMBL6634835

CC(C)CCC(Br)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3297381 0.72
SCHEMBL4559906 0.72
SCHEMBL28835995 0.70
SCHEMBL16454693 0.69
SCHEMBL25479758 0.68 TP53 (0.36) ALDH1A1HSD17B10
SCHEMBL28835987 0.67
SCHEMBL6677934 0.65
SCHEMBL20428181 0.65 KDM4E (0.30)
SCHEMBL28930070 0.65 SHBG (0.46) ALDH1A1
SCHEMBL83493 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472244-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-11-03 EP disclosed
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2004-10-21 US disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
WO-2003045944-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-06-05 WO disclosed
US-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2003-04-17 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 (2 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-20030073718-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 ALDH1A1 564/4885AR 777/4885TSHR 3531/4885
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 ALDH1A1 564/4885AR 777/4885TSHR 3531/4885

“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.