SCHEMBL2155707

SCHEMBL2155707

CCCCCC#CC(CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1)N(O)C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
USP5 P45974 1/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 3/20 0.37
MMP3 P08254 1/20 0.35
ACLY P53396 1/20 0.35
CHRM3 P20309 1/20 0.34
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
CCR2 P41597 2/20 0.33
OPRM1 P35372 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 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
SCHEMBL2155152 0.90 MMP13 (0.35) USP5MMP3CYP3A4MMP13MMP14
SCHEMBL2155367 0.90 DRD2 (0.38) DRD2USP5CYP3A4MMP13MMP14
SCHEMBL2155739 0.90 MMP13 (0.44) USP5MMP3CYP3A4MMP13MMP14
SCHEMBL2154931 0.88 USP5 (0.38) DRD2USP5CHRM2CHRM1MMP3
SCHEMBL2154951 0.86 MMP13 (0.48) DRD2THRBCYP3A4MMP13MMP14
SCHEMBL2156531 0.82 MMP3 (0.41) DRD2USP5MMP3OPRM1ALDH1A1
SCHEMBL2156142 0.82 DRD2 (0.42) DRD2USP5CHRM2CHRM1MMP3
SCHEMBL27693729 0.81 DRD2 (0.41) DRD2USP5CHRM2CHRM1MMP3
SCHEMBL2155296 0.81 MMP13 (0.43) DRD2USP5CYP3A4MMP13MMP14
SCHEMBL2155266 0.80 CYP3A4 (0.42) DRD2THRBCYP3A4MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP claimed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 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 (1 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-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof GLS2, SRM, GLS DRD2 4576/4885USP5 1355/4885CHRM2 176/4885

“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.