SCHEMBL760901

SCHEMBL760901

O=S(=O)(O)CCc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 3/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.41
S100A4 P26447 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACLY P53396 1/20 0.36
KDM4E B2RXH2 1/20 0.36
FABP4 P15090 2/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
FBP1 P09467 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL756963 0.86 FFAR1 (0.45) FFAR1FFAR4PTGDR2S100A4KMT2A
SCHEMBL3746249 0.80 FFAR1 (0.50) FFAR1FFAR4PTGDR2KMT2AMEN1
SCHEMBL3746360 0.78 FFAR4 (0.66) FFAR1FFAR4PTGDR2
SCHEMBL13321613 0.77 FLT1 (0.38) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL27600768 0.77 IDO1 (0.47) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL14686251 0.77 FFAR1 (0.49) FFAR1FFAR4PTGDR2KMT2AMEN1
SCHEMBL759109 0.76 FFAR1 (0.46) FFAR1FFAR4PTGDR2S100A4KMT2A
SCHEMBL31464099 0.76 FFAR1 (0.46) FFAR1FFAR4PTGDR2S100A4KMT2A
SCHEMBL4706651 0.76 IDO1 (0.46) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL27417857 0.75 FFAR1 (0.48) FFAR1FFAR4PTGDR2S100A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670766-B1 Bicyclic imino acid derivatives for the treatment of (inter alia) diseases relating to the locomotor system SANOFI AVENTIS DEUTSCHLAND (DE) 2012-03-21 EP disclosed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
US-7205315-B2 Bicyclic imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-17 US disclosed
EP-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
EP-1670766-A1 BICYCLIC IMINO ACID DERIVATIVES USED AS INHIBITORS OF MATRIX-METALLOPROTEINASES Sanofi-Aventis Deutschland GmbH (DE) 2006-06-21 EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed
US-20050080127-A1 Bicyclic imino acid derivatives as inhibitors of matrix metalloproteinases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-14 US disclosed
WO-2005030728-A1 BICYCLIC IMINO ACID DERIVATIVES USED AS INHIBITORS OF MATRIX-METALLOPROTEINASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-04-07 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 (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-20050080127-A1 Bicyclic imino acid derivatives as inhibitors of matrix metalloproteinases MMP1, MMP17, MMP25 FFAR1 2951/4885FFAR4 4232/4885PTGDR2 499/4885
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 FFAR1 3332/4885FFAR4 3662/4885PTGDR2 594/4885

“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.