SCHEMBL6730211

SCHEMBL6730211

COC(=O)C1(CS(=O)(=O)CCCOc2ccc(-c3ccccc3)cc2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.46
▸ HDAC4 P56524 6/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC7 Q8WUI4 6/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC10 Q969S8 6/20 0.46
▸ HDAC11 Q96DB2 6/20 0.46
▸ HDAC8 Q9BY41 6/20 0.46
▸ HDAC6 Q9UBN7 6/20 0.46
▸ HDAC9 Q9UKV0 6/20 0.46
▸ HDAC5 Q9UQL6 6/20 0.46
▸ MMP13 P45452 3/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ MMP14 P50281 1/20 0.42

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
SCHEMBL6727259 0.89 MMP1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6732559 0.89 MMP13 (0.53) MMP13MMP2MMP8ALDH1A1MMP1
SCHEMBL6727248 0.88 MMP13 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6735747 0.82 CHRNB2 (0.42) MMP13MMP2MMP8MMP1
SCHEMBL6735054 0.81 MMP13 (0.52) MMP13MMP2MMP8ALDH1A1MMP1
SCHEMBL6730246 0.80 HDAC1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6976225 0.80 MMP13 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6977761 0.79 HRH3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6727303 0.79 MMP13 (0.62) MMP13MMP2MMP8ALDH1A1MMP1
SCHEMBL28749443 0.77 ALDH1A1 (0.47) MMP13MMP2MMP8ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 — — US claimed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 — — US claimed
EP-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP claimed
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 — — EP claimed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 — — WO claimed
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 — — US disclosed
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 — — US disclosed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 — — US disclosed
EP-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP disclosed
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 — — EP disclosed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 — — 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 (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-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HCAR1, HCAR2, HCAR3 HDAC3 22/4885HDAC4 242/4885HDAC1 60/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 HDAC3 25/4885HDAC4 272/4885HDAC1 54/4885

“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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