SCHEMBL7786909

SCHEMBL7786909

CCCCCCCCS(=O)(=O)O/N=C(\C#N)c1ccc(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.39
ELANE P08246 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PLA2G4B P0C869 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL7786910 1.00 SMPD1 (0.41) SMPD1LMNAMAPK1HTTHDAC3
SCHEMBL7786403 0.91 ALDH1A1 (0.42) MAPK1HDAC3HDAC2ALDH1A1MAPT
SCHEMBL1755727 0.85 PTGS2 (0.38) HDAC3HDAC2
SCHEMBL4354862 0.85 PTGS2 (0.38) HDAC3HDAC2
SCHEMBL1357769 0.85 PTGS2 (0.38) HDAC3HDAC2
SCHEMBL4354857 0.85 PTGS2 (0.38) HDAC3HDAC2
SCHEMBL14707492 0.82 L3MBTL1 (0.38) ALDH1A1MAPTTHRATHRBHPGD
SCHEMBL18431384 0.82 LMNA (0.33) LMNAMAPK1ALDH1A1MAPTPDE4D
SCHEMBL17557252 0.82 LMNA (0.33) LMNAMAPK1ALDH1A1MAPTPDE4D
SCHEMBL9891194 0.82 LMNA (0.33) LMNAMAPK1ALDH1A1MAPTPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US claimed
CN-107533293-A Positive photosensitive resin composition for display device and display device comprising same 株式会社东进世美肯 2018-01-02 CN disclosed
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH SMPD1 2253/4885LMNA 624/4885MAPK1 787/4885

“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.