SCHEMBL7786276

SCHEMBL7786276

CCCCCCCCCCCCc1ccc(S(=O)(=O)ON=C(c2ccc(C#N)cc2)c2cc3c(OCCCC)cc(OCCCC)cc3oc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.42
ALPI P09923 5/20 0.42
MAOB P27338 3/20 0.36
PLA2G4A P47712 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
MAOA P21397 1/20 0.35
STS P08842 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL7786906 0.81 MAOB (0.41) ALPLALPIMAOBMAOATSHR
SCHEMBL7789366 0.77 MAOB (0.48) ALPLALPIMAOBMAOATSHR
SCHEMBL194110 0.72 ALDH1A1 (0.44) MAOBTSHRHSD17B10
SCHEMBL2880829 0.68 PLK1 (0.41) CA2
SCHEMBL2880826 0.68 PLK1 (0.41) CA2
SCHEMBL6836185 0.68 MAOB (0.49) MAOBMAOATSHRHSD17B10CA12
SCHEMBL16267220 0.67 MAOA (0.48) MAOBMAOATSHRHSD17B10CA12
SCHEMBL19725944 0.66 CNR1 (0.53) MAOBMAOA
SCHEMBL19725790 0.66 CNR1 (0.53) MAOBMAOA
SCHEMBL29967903 0.66 CNR1 (0.53) MAOBMAOA

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 ALPL 2919/4885ALPI 3073/4885MAOB 337/4885

“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.