SCHEMBL6618787

SCHEMBL6618787

O=C(C1(c2ccc(Br)cc2)CC1)C1(c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ HDAC4 P56524 3/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ HSD11B1 P28845 4/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL4770404 0.91 HDAC1 (0.53) HDAC1ALDH1A1HDAC3HDAC7HDAC2
SCHEMBL28173281 0.86 AKT1 (0.44) HDAC1ALDH1A1HDAC3HDAC7HDAC2
Hydrochloric Acid SCHEMBL28173275 0.85 AKT1 (0.43) HDAC1ALDH1A1HDAC3HDAC7HDAC2
SCHEMBL2221 0.84 AKR1C1 (0.55) HDAC1ALDH1A1AKR1C1
SCHEMBL3910628 0.83 AKR1C1 (0.53) HDAC1ALDH1A1AKR1C1
SCHEMBL29473164 0.83 HDAC1 (0.42) HDAC1ALDH1A1HDAC3HDAC7HDAC2
SCHEMBL2130769 0.83 OPRL1 (0.44) HDAC1ALDH1A1HDAC3HDAC7HDAC2
Water SCHEMBL3910626 0.81 AKR1C1 (0.52) HDAC1ALDH1A1AKR1C1
SCHEMBL1335906 0.79 ESR2 (0.48) ALDH1A1HDAC4CA1CA2HSD11B1
SCHEMBL23588019 0.78 SLC18A3 (0.43) HDAC1ALDH1A1HDAC3HDAC7HDAC2

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
CN-1625554-A Amides of aminoalkyl substituted azetidines, pyrrolidines, piperidines and azepanes NOVO NORDISK AS (DK) 2005-06-08 — — CN disclosed
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 HDAC1 95/4885ALDH1A1 564/4885HDAC3 116/4885
US-20040209914-A1 Aromatic sulfone hydroxamic acids and their use as protease inhibitors MMP1, MMP7, MMP3 HDAC1 95/4885ALDH1A1 564/4885HDAC3 116/4885

“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.

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