SCHEMBL1361097

SCHEMBL1361097

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4A O75164 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 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
SCHEMBL1362917 0.88 GAA (0.50) GAATP53L3MBTL1KDM4AUSP2
SCHEMBL1362552 0.85 L3MBTL1 (0.38) GAATP53L3MBTL1KDM4AUSP2
SCHEMBL1362916 0.82 PDE4A (0.41) GAATP53PDE4BPDE4APDE4C
SCHEMBL1364181 0.80 F2 (0.39) GAATP53L3MBTL1ALDH1A1MAPT
SCHEMBL1362190 0.76 MMP1 (0.35) GAATP53L3MBTL1KDM4AUSP2
SCHEMBL1362944 0.73 GAA (0.47) GAATP53L3MBTL1KDM4AUSP2
SCHEMBL1361417 0.72 PDE4A (0.37) GAATP53L3MBTL1PDE4BPDE4A
SCHEMBL1362580 0.70 ADRA2C (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL17360674 0.70 GAA (0.52) GAATP53L3MBTL1KDM4AUSP2
SCHEMBL1361363 0.69 GAA (0.47) GAATP53L3MBTL1KDM4AUSP2

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 GAA 4854/4885TP53 2453/4885L3MBTL1 2623/4885

“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.