Sugi Predict

Sugi Predict / Compounds / SCHEMBL2156181

SCHEMBL2156181

SCHEMBL2156181

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GFER P55789 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2155625 0.91 MAPT (0.37) TP53MAPTALDH1A1NPC1RAB9A
SCHEMBL2155145 0.84 KDM4E (0.40) TP53MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL2155117 0.84 CYP3A4 (0.46) LMNATP53ALDH1A1KMT2AKDM4E
SCHEMBL2155689 0.84 LMNA (0.41) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2154755 0.83 LMNA (0.43) LMNATP53SMN1; SMN2
SCHEMBL2156547 0.82 TP53 (0.43) LMNATP53MAPTKDM4ETHRB
SCHEMBL2154976 0.82 POLB (0.44) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2156665 0.81 CYP3A4 (0.47) LMNATP53ALDH1A1KMT2AKDM4E
SCHEMBL2154936 0.81 MAPT (0.33) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2154937 0.81 MMP13 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 5 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
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 LMNA 3423/4885TP53 593/4885MAPT 4423/4885

“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.