SCHEMBL2155141

SCHEMBL2155141

CC(C)(CC#Cc1ccccc1)C(CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)NO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
GCK P35557 4/20 0.40
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GCKR Q14397 2/20 0.36
CYP3A4 P08684 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
SLC6A9 P48067 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL2155248 0.91 TP53 (0.42) TP53THRBGCKHTTALDH1A1
SCHEMBL2156215 0.91 MMP13 (0.46) TP53ALDH1A1CYP3A4MMP13MMP14
SCHEMBL2155359 0.88 ATM (0.40) HTTALDH1A1MAPTLMNA
SCHEMBL2155241 0.83 MMP13 (0.48) TP53THRBGCKHTTALDH1A1
SCHEMBL28770879 0.83 MMP13 (0.45) TP53ALDH1A1CYP3A4MMP13MMP14
SCHEMBL2155065 0.82 TP53 (0.46) TP53CYP3A4MMP13MMP14MAPT
SCHEMBL27713643 0.82 TP53 (0.44) TP53CYP3A4MMP13MMP14MAPT
SCHEMBL2156386 0.81 TP53 (0.43) TP53THRBGCKHTTGCKR
SCHEMBL2155126 0.79 ATM (0.43) HTTALDH1A1MAPTLMNA
SCHEMBL2155918 0.79 MMP7 (0.44) ALDH1A1MAPT

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 12 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-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 claimed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US claimed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP claimed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO claimed
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-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 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 (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 TP53 593/4885THRB 2589/4885GCK 2749/4885

“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.