SCHEMBL6787463

SCHEMBL6787463

CC(C)C(CS(=O)(=O)N1CCc2c(sc3ccccc23)C1)C(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
MAPK10 P53779 1/20 0.35
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
APEX1 P27695 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAD52 P43351 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6787466 1.00 DRD2 (0.37) DRD2DRD1DRD4DRD5DRD3
Hydrogen Peroxide SCHEMBL7101046 0.89 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6787801 0.89 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
Hydrogen Peroxide SCHEMBL7101042 0.89 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6787798 0.89 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6783193 0.79 HDAC6 (0.53) MAPTKDM4EHDAC3HDAC4HDAC1
SCHEMBL6783587 0.78 HDAC1 (0.44) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL6344755 0.76 NPC1 (0.66) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL6791391 0.76 PPARA (0.35) KMT2ANPC1RAB9APOLB
SCHEMBL6791386 0.76 PPARA (0.35) KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286994-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2003-03-05 EP 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-20030032652-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2003-02-13 US 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 DRD2 1333/4885DRD1 2328/4885DRD4 2437/4885
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 DRD2 4648/4885DRD1 4580/4885DRD4 4468/4885
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 DRD2 4648/4885DRD1 4580/4885DRD4 4468/4885

“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.