SCHEMBL7789358

SCHEMBL7789358

CCCCCCCCCCCCc1ccc(S(=O)(=O)ON=C(C#N)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.46
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PLK1 P53350 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
ELANE P08246 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL7789356 1.00 SMPD1 (0.46) SMPD1LMNAMAPK1HTTTSHR
SCHEMBL2880826 0.87 PLK1 (0.41) PLK1CNR2
SCHEMBL2880829 0.87 PLK1 (0.41) PLK1CNR2
SCHEMBL36667 0.83 CA2 (0.42)
SCHEMBL36666 0.83 CA2 (0.42)
SCHEMBL4361332 0.82 ALDH1A1 (0.48) LMNAHTTTSHRPDE4APDE4B
SCHEMBL4361330 0.82 ALDH1A1 (0.48) LMNAHTTTSHRPDE4APDE4B
SCHEMBL7781708 0.82 PDE4A (0.47) LMNAKMT2APDE4APDE4BPDE4C
SCHEMBL7781706 0.82 PDE4A (0.47) LMNAKMT2APDE4APDE4BPDE4C
SCHEMBL7781699 0.82 CA2 (0.39)

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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US claimed
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.