SCHEMBL2154776

SCHEMBL2154776

COc1ccc(N2CCN(S(=O)(=O)/C=C\C#Cc3cccnc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL2154784 1.00 MAPT (0.53) MAPTGAAALDH1A1LMNATSHR
SCHEMBL2155818 1.00 MAPT (0.53) MAPTGAAALDH1A1LMNATSHR
SCHEMBL2155447 0.87 MAPT (0.66) MAPTGAAALDH1A1LMNATSHR
SCHEMBL2155452 0.87 MAPT (0.66) MAPTGAAALDH1A1LMNATSHR
SCHEMBL2155444 0.87 LMNA (0.51) MAPTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2155931 0.87 LMNA (0.51) MAPTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2155435 0.87 LMNA (0.51) MAPTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2155473 0.85 MAPT (0.56) MAPTGAAALDH1A1LMNATSHR
SCHEMBL2155464 0.85 MAPT (0.56) MAPTGAAALDH1A1LMNATSHR
SCHEMBL2157099 0.85 MAPT (0.56) MAPTGAAALDH1A1LMNATSHR

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-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-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 MAPT 4423/4885GAA 2816/4885ALDH1A1 2059/4885

“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.