SCHEMBL6791386

SCHEMBL6791386

CC(C)C(CS(=O)(=O)N1CCc2c(sc3ccccc23)C1)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.35
IL6ST P40189 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
FAAH O00519 1/20 0.30
IDH1 O75874 4/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6791391 1.00 PPARA (0.35) PPARAIL6STNPC1RAB9AKMT2A
Hydrogen Peroxide SCHEMBL7101046 0.80 DRD2 (0.39) NPC1RAB9AKMT2APOLB
SCHEMBL6787798 0.80 DRD2 (0.39) NPC1RAB9AKMT2APOLB
Hydrogen Peroxide SCHEMBL7101042 0.80 DRD2 (0.39) NPC1RAB9AKMT2APOLB
SCHEMBL6787466 0.76 DRD2 (0.37) NPC1RAB9AKMT2APOLB
SCHEMBL6036640 0.75 PPARA (0.43) PPARAIL6STCSNK2BCSNK2A1FAAH
SCHEMBL4610398 0.75 PPARA (0.43) PPARAIL6STCSNK2BCSNK2A1FAAH
SCHEMBL6785364 0.75 PPARA (0.43) PPARAIL6STCSNK2BCSNK2A1FAAH
SCHEMBL4610400 0.75 PPARA (0.43) PPARAIL6STCSNK2BCSNK2A1FAAH
SCHEMBL22686526 0.72 PPARA (0.48) PPARAIL6STCSNK2BCSNK2A1FAAH

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
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
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

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-20020013333-A1 Hydroxamic and carboxylic acid derivatives HCAR2, HCAR1, CBR1 PPARA 1649/4885IL6ST 142/4885NPC1 2475/4885
US-20030032652-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 PPARA 1594/4885IL6ST 830/4885NPC1 2449/4885

“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.