SCHEMBL6578656

SCHEMBL6578656

O=C(O)C(CCCc1ccccc1)CS(=O)(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP1 P03956 2/20 0.54
MMP3 P08254 2/20 0.54
GRIK1 P39086 1/20 0.50
TSHR P16473 3/20 0.49
HPGD P15428 1/20 0.49
FKBP1A P62942 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6575901 0.88 MMP8 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6578384 0.87 HPGD (0.44) MMP2MMP9MMP8TSHRHPGD
SCHEMBL7333389 0.83 CYP1A2 (0.54) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL7079165 0.76 MMP2 (0.54) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7078968 0.76 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075232 0.76 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075141 0.76 MMP2 (0.80) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075239 0.76 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL1856639 0.76 GRIK1 (0.72) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7077667 0.74 MMP2 (0.57) MMP2MMP9MMP8MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 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 (1 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 MMP2 2/4885MMP9 3/4885MMP8 18/4885

“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.