SCHEMBL6784097

SCHEMBL6784097

CC(C)C(CS(=O)(=O)N1CCc2c([nH]c3ccccc23)C1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
FAAH O00519 2/20 0.47
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44

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
SCHEMBL6783193 0.89 HDAC6 (0.53) GPX4HDAC1HDAC6HDAC3HDAC4
SCHEMBL6787946 0.85 KDR (0.51) HDAC1HDAC6LMNABAZ2B
Trifluoroacetic Acid SCHEMBL7102782 0.80 KDR (0.46) HDAC1HDAC6LMNABAZ2B
SCHEMBL4674850 0.78 HDAC3 (0.52) GPX4HDAC1HDAC6HDAC3HDAC4
SCHEMBL4674847 0.78 HDAC3 (0.52) GPX4HDAC1HDAC6HDAC3HDAC4
SCHEMBL6787801 0.78 DRD2 (0.39) KDM4EMAPT
Hydrogen Peroxide SCHEMBL7101042 0.78 DRD2 (0.39) KDM4EMAPT
Hydrogen Peroxide SCHEMBL7101046 0.78 DRD2 (0.39) KDM4EMAPT
SCHEMBL6788423 0.78 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC2
SCHEMBL6787798 0.78 DRD2 (0.39) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2004-09-09 US claimed
EP-1286994-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-05 EP claimed
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2003-02-13 US claimed
US-6469020-B2 AS INHIBITORS OF MATRIX METALLOPROTEINASE, FOR THERAPY OF DISEASES SUCH AS DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY, LTD. (GB) 2002-10-22 US claimed
US-20020013333-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-01-31 US claimed
WO-2001087883-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO claimed
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2004-09-09 US disclosed
US-6734189-B2 TETRAHYDRO-N-CARBOXYALKYLSULFONYLCARBOLINE DERIVATIVES, USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM, ADAM-TS ENZYMES, AND/OR TNF ALPHA -MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2004-05-11 US disclosed
EP-1286994-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-05 EP disclosed
US-6469020-B2 AS INHIBITORS OF MATRIX METALLOPROTEINASE, FOR THERAPY OF DISEASES SUCH AS DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY, LTD. (GB) 2002-10-22 US disclosed
US-20020013333-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-01-31 US disclosed
WO-2001087883-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2001-11-22 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 (3 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-20020013333-A1 Hydroxamic and carboxylic acid derivatives HCAR2, HCAR1, CBR1 GPX4 3705/4885HDAC1 135/4885HDAC6 272/4885
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 GPX4 3329/4885HDAC1 67/4885HDAC6 357/4885
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 GPX4 3329/4885HDAC1 67/4885HDAC6 357/4885

“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.