SCHEMBL4189363

SCHEMBL4189363

COc1ccc(NS(=O)(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
KLK7 P49862 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
KLK5 Q9Y337 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL4189361 1.00 CA1 (0.51) CA1CA2CA12CA9MEN1
SCHEMBL4189367 1.00 CA1 (0.51) CA1CA2CA12CA9MEN1
SCHEMBL4183625 0.90 MEN1 (0.47) CA1CA2MEN1KMT2ACYP1A2
SCHEMBL4183626 0.90 MEN1 (0.47) CA1CA2MEN1KMT2ACYP1A2
SCHEMBL4183621 0.90 MEN1 (0.47) CA1CA2MEN1KMT2ACYP1A2
SCHEMBL4181472 0.89 CA12 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL4181477 0.89 CA12 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL4181476 0.89 CA12 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL4189137 0.87 CA1 (0.53) CA1CA2CA12CA9MEN1
SCHEMBL4189129 0.87 CA1 (0.53) CA1CA2CA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 US claimed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 CA1 3291/4885CA2 3164/4885CA12 2120/4885

“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.