SCHEMBL758542

SCHEMBL758542

O=S(=O)(Cl)CCc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
KMT2A Q03164 1/20 0.44
PTGER1 P34995 5/20 0.42
PTGER4 P35408 5/20 0.42
PTGER3 P43115 5/20 0.42
PTGER2 P43116 5/20 0.42
FOLH1 Q04609 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PTGS2 P35354 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP2A6 P11509 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL7152434 0.85 DPP4 (0.50) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL756963 0.82 FFAR1 (0.45) KMT2APTGS2FFAR1FFAR4
SCHEMBL11094357 0.81 DPP4 (0.50) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL5162483 0.80 FFAR1 (0.44) PTGS2FFAR1FFAR4
SCHEMBL30634145 0.79 TAAR1 (0.52)
SCHEMBL786089 0.79 TAAR1 (0.52)
SCHEMBL11333152 0.77 DPP4 (0.65) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL5162634 0.75 LMNA (0.38) KMT2AFOLH1PTGS2
SCHEMBL1567126 0.74 DPP4 (0.56) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL11057696 0.74 DPP4 (0.56) DPP4KMT2APTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841772-B1 TETRAHYDROFURANE DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI SA (FR) 2015-05-06 EP disclosed
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-8039481-B2 Tetrahydrofuran derivatives for use as inhibitors of matrix metalloproteinases SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-7399770-B2 Thieno-imino acid derivatives for use as matrix metalloproteinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-20080039489-A1 TETRAHYDROFURAN DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-14 US disclosed
EP-1841772-A1 TETRAHYDROFURANE DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES Sanofi-Aventis (FR) 2007-10-10 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-20070093482-A1 THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-26 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-1723148-A2 THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2006077013-A1 TETRAHYDROFURANE DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI-AVENTIS (DE) 2006-07-27 WO 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
WO-2005073236-A2 THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-08-11 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 (4 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 DPP4 953/4885KMT2A 3168/4885PTGER1 173/4885
US-20070093482-A1 THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS MMP1, MIF, MMP12 DPP4 1963/4885KMT2A 3611/4885PTGER1 44/4885
US-20080039489-A1 TETRAHYDROFURAN DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP1, MMP17, MMP2 DPP4 570/4885KMT2A 3884/4885PTGER1 128/4885
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 DPP4 334/4885KMT2A 687/4885PTGER1 234/4885

“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.