Sugi Predict

Sugi Predict / Compounds / SCHEMBL2154787

SCHEMBL2154787

SCHEMBL2154787

CCCCCC#C/C=C\S(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ GAA P10253 1/20 0.45
▸ AR P10275 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CTRC Q99895 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL2154998 1.00 MAPT (0.45) MAPTGAAARKDM4ETSHR
SCHEMBL2154796 1.00 MAPT (0.45) MAPTGAAARKDM4ETSHR
SCHEMBL27713621 0.96 MAPT (0.43) MAPTGAAARKDM4ETSHR
SCHEMBL27693736 0.96 MAPT (0.43) MAPTGAAARKDM4ETSHR
SCHEMBL2155361 0.89 MAPT (0.48) MAPTGAATSHRLMNAALDH1A1
SCHEMBL2155355 0.89 MAPT (0.48) MAPTGAATSHRLMNAALDH1A1
SCHEMBL2155133 0.88 MAPT (0.43) MAPTGAATSHRLMNAALDH1A1
SCHEMBL2155144 0.88 MAPT (0.43) MAPTGAATSHRLMNAALDH1A1
SCHEMBL2155851 0.87 TSHR (0.51) MAPTGAATSHRLMNAALDH1A1
SCHEMBL2155846 0.87 TSHR (0.51) MAPTGAATSHRLMNAALDH1A1

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 6 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
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

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 2816/4885AR 2808/4885

“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.