SCHEMBL6727248

SCHEMBL6727248

O=C(NO)C1(CS(=O)(=O)CCCOc2ccc(-c3ccccc3)cc2)CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 13/20 0.52
▸ MMP2 P08253 9/20 0.52
▸ MMP8 P22894 9/20 0.52
▸ MMP1 P03956 8/20 0.52
▸ MMP9 P14780 7/20 0.52
▸ MMP3 P08254 6/20 0.52
▸ MMP14 P50281 2/20 0.52
▸ ADAM17 P78536 2/20 0.49
▸ ABCB11 O95342 1/20 0.48
▸ MMP7 P09237 1/20 0.48
▸ MMP10 P09238 1/20 0.48
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6730211 0.88 HDAC3 (0.46) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6727302 0.87 MMP13 (0.64) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6727303 0.87 MMP13 (0.62) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6976225 0.84 MMP13 (0.45) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6735054 0.77 MMP13 (0.52) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6735645 0.77 MMP1 (0.47) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6977761 0.77 HRH3 (0.39) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6732559 0.76 MMP13 (0.53) MMP13MMP2MMP8MMP1MMP9
SCHEMBL6827826 0.75 CYP4F2 (0.43) MMP13MMP2MMP8MMP1MMP9

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
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
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

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 MMP13 694/4885MMP2 1221/4885MMP8 638/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 MMP13 986/4885MMP2 1582/4885MMP8 863/4885

“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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