SCHEMBL6727259

SCHEMBL6727259

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HDAC3 O15379 7/20 0.42
▸ HDAC4 P56524 7/20 0.42
▸ HDAC1 Q13547 7/20 0.42
▸ HDAC7 Q8WUI4 7/20 0.42
▸ HDAC2 Q92769 7/20 0.42
▸ HDAC10 Q969S8 7/20 0.42
▸ HDAC11 Q96DB2 7/20 0.42
▸ HDAC8 Q9BY41 7/20 0.42
▸ HDAC6 Q9UBN7 7/20 0.42
▸ HDAC9 Q9UKV0 7/20 0.42
▸ HDAC5 Q9UQL6 7/20 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
SCHEMBL6730211 0.89 HDAC3 (0.46) MMP1MMP9MMP13MMP3RAB9A
SCHEMBL6727248 0.89 MMP13 (0.52) MMP1MMP9MMP13MMP3MMP2
SCHEMBL6735645 0.87 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP2
SCHEMBL6735054 0.87 MMP13 (0.52) MMP1MMP9MMP13MMP3MMP2
SCHEMBL6827826 0.85 CYP4F2 (0.43) MMP1MMP9MMP13MMP3MMP2
SCHEMBL6977761 0.84 HRH3 (0.39) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6968315 0.81 CYP4F2 (0.45) MMP1MMP13CYP4F2CYP4A11
SCHEMBL6976225 0.81 MMP13 (0.45) MMP1MMP9MMP13MMP3RAB9A
SCHEMBL6732559 0.77 MMP13 (0.53) MMP1MMP9MMP13MMP3MMP2
SCHEMBL6727303 0.76 MMP13 (0.62) MMP1MMP9MMP13MMP3MMP2

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 9 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

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 MMP1 843/4885MMP9 631/4885MMP13 694/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 MMP1 770/4885MMP9 833/4885MMP13 986/4885

“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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