SCHEMBL6735747

SCHEMBL6735747

COC(=O)C1(CS(=O)(=O)CCCOc2cccnc2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.42
▸ CHRNA4 P43681 4/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37

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
SCHEMBL6968315 0.89 CYP4F2 (0.45) CHRNB2CHRNA4MMP13MMP1EPHX2
SCHEMBL6732559 0.83 MMP13 (0.53) MMP13MMP1MMP2MMP8
SCHEMBL6730211 0.82 HDAC3 (0.46) MMP13MMP1MMP2MMP8
SCHEMBL6729662 0.81 EPHX2 (0.43) CHRNB2CHRNA4MMP13MMP1EPHX2
SCHEMBL6976704 0.81 MMP1 (0.40) CHRNB2CHRNA4MMP13MMP1EPHX2
SCHEMBL6972751 0.79 CYP4F2 (0.37) CHRNB2CHRNA4EPHX2KMT2ADRD2
SCHEMBL6827826 0.76 CYP4F2 (0.43) MMP13MMP1MMP2MMP8CYP4F2
SCHEMBL6727249 0.75 MMP13 (0.41) MMP13MMP1EPHX2KDM4EKMT2A
SCHEMBL6735054 0.73 MMP13 (0.52) MMP13MMP1MMP2MMP8CYP4F2
SCHEMBL6727303 0.73 MMP13 (0.62) MMP13MMP1MMP2MMP8

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-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 — — 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 CHRNB2 1125/4885CHRNA4 997/4885MMP13 694/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 CHRNB2 1034/4885CHRNA4 864/4885MMP13 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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