SCHEMBL1364181

SCHEMBL1364181

CCCN1C(=O)N(CC)C(=O)C1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CTRC Q99895 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGLL Q99685 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31

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
SCHEMBL1362916 0.90 PDE4A (0.41) F2ELANECTSGCTRCPDE4A
SCHEMBL1361363 0.89 GAA (0.47) F2ELANECTSGCTRCPDE4A
SCHEMBL1362157 0.86 F2 (0.44) F2ELANECTSGCTRCGAA
SCHEMBL1361417 0.85 PDE4A (0.37) F2ELANECTSGCTRCPDE4A
SCHEMBL1362944 0.81 GAA (0.47) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL1361097 0.80 GAA (0.35) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL1363519 0.78 F2 (0.37) F2ELANECTSGCTRCPDE4B
SCHEMBL1362112 0.78 HDAC6 (0.37) F2ELANECTSGCTRCPDE4A
SCHEMBL1364095 0.78 F2 (0.44) F2ELANECTSGCTRCTP53
SCHEMBL1362193 0.75 HDAC6 (0.36) PDE4APDE4BPDE4CPDE4DTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8066977-B2 Agent for permanent hair waving containing heterocyclic mercapto compound SHOWA DENKO K.K. (JP) 2011-11-29 US disclosed
EP-1883454-B1 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO KK (JP) 2009-11-04 EP disclosed
US-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound SHOWA DENKO K.K. (JP) 2009-08-20 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-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound NSD3, WNT3, MSRB3 F2 3730/4885ELANE 534/4885CTSG 4402/4885

“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.