SCHEMBL6735645

SCHEMBL6735645

O=C(O)C1(CS(=O)(=O)CCCOc2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.47
▸ MMP13 P45452 5/20 0.47
▸ MMP9 P14780 3/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ MMP8 P22894 3/20 0.47
▸ ADAM17 P78536 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ MMP7 P09237 2/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ MMP10 P09238 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ EPHX2 P34913 2/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6735054 0.88 MMP13 (0.52) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6727302 0.88 MMP13 (0.64) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6727259 0.87 MMP1 (0.43) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6827826 0.86 CYP4F2 (0.43) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6976767 0.84 USP2 (0.45) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6968315 0.80 CYP4F2 (0.45) MMP1MMP13EPHX2CYP4F2CYP4A11
SCHEMBL6946607 0.80 SMN1; SMN2 (0.47) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6732559 0.78 MMP13 (0.53) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6731754 0.78 USP2 (0.47) MMP1MMP13MMP9MMP2MMP8
SCHEMBL6730211 0.77 HDAC3 (0.46) MMP1MMP13MMP9MMP2MMP8

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

“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.

Send feedback