SCHEMBL1362214

SCHEMBL1362214

CCCCN1C(=O)N(CC)C(=O)C1CS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
MMP1 P03956 4/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
ABL1 P00519 2/20 0.38
RIN1 Q13671 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GBA1 P04062 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CTRC Q99895 1/20 0.34
HDAC6 Q9UBN7 2/20 0.31
USP2 O75604 1/20 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
SCHEMBL1363030 0.90 GAA (0.44) GAATP53MMP1MMP3MMP9
SCHEMBL1362112 0.90 HDAC6 (0.37) GAATP53MMP1MMP3MMP9
SCHEMBL1364091 0.84 F2 (0.41) SMN1; SMN2F2ELANECTSGCTRC
SCHEMBL1362145 0.83 GAA (0.47) GAATP53MMP1MMP3MMP9
SCHEMBL1362258 0.81 PDE4A (0.39) GAATP53MMP1MMP3MMP9
SCHEMBL1361363 0.79 GAA (0.47) GAATP53MMP1MMP3MMP9
SCHEMBL1363979 0.79 PDE4A (0.35) GAATP53MMP1MMP3MMP9
SCHEMBL1363028 0.77 F2 (0.41) GAATP53F2ELANECTSG
SCHEMBL1362922 0.77 PIK3CD (0.36) PDE4BSMN1; SMN2F2ELANECTSG
SCHEMBL1362190 0.72 MMP1 (0.35) GAATP53MMP1MMP3MMP9

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
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
EP-1883454-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2008-02-06 EP disclosed
WO-2006126729-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2006-11-30 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-20090208439-A1 Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound NSD3, WNT3, MSRB3 GAA 4854/4885TP53 2453/4885MMP1 308/4885

“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.