SCHEMBL6578080

SCHEMBL6578080

O=C(O)C(CBr)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP3 P08254 1/20 0.51
MMP13 P45452 1/20 0.51
HDAC7 Q8WUI4 6/20 0.50
HDAC1 Q13547 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47

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
SCHEMBL7079889 0.91 MMP2 (0.49) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL9219366 0.91 MMP2 (0.55) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL28743022 0.90 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL3359985 0.82 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL6954199 0.82 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL7898753 0.82 HDAC7 (0.52) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL27516002 0.81 MMP2 (0.48) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL2640824 0.80 HDAC7 (0.53) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL2640823 0.80 HDAC7 (0.53) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL7026832 0.79 HDAC1 (0.52) MMP2MMP9MMP3MMP13HDAC7

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
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
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 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 (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 3/4885MMP3 5/4885

“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.