Sugi Predict

Sugi Predict / Compounds / SCHEMBL2155269

SCHEMBL2155269

SCHEMBL2155269

CCCCCC#CC(CS(=O)(=O)N1CCN(c2cccc(OC)c2)CC1)C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GFER P55789 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MTNR1A P48039 1/20 0.38

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
SCHEMBL2154953 0.90 TP53 (0.44) TP53MMP9MMP13THRBMEN1
SCHEMBL27693727 0.90 TP53 (0.42) TP53ALDH1A1DRD2THRBGFER
SCHEMBL2154925 0.88 KMT2A (0.41) TP53ALDH1A1THRBMEN1KMT2A
SCHEMBL2155469 0.87 DRD2 (0.43) TP53ALDH1A1DRD2THRBGFER
SCHEMBL2155701 0.86 MMP13 (0.41) TP53MMP2MMP9MMP13THRB
SCHEMBL2154795 0.83 MAPT (0.49) TP53ALDH1A1DRD2THRBMAPT
SCHEMBL2154943 0.83 GFER (0.45) TP53ALDH1A1MMP2MMP9MMP13
SCHEMBL2155353 0.81 TP53 (0.43) TP53DRD2MMP2MMP9MMP13
SCHEMBL2155266 0.80 CYP3A4 (0.42) TP53ALDH1A1DRD2MMP13MMP14
SCHEMBL16493654 0.80 DRD2 (0.54) TP53ALDH1A1DRD2THRBKMT2A

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 TP53 593/4885ALDH1A1 2059/4885DRD2 4576/4885

“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.