SCHEMBL4175136

SCHEMBL4175136

COc1cc(OC)c(C=C(C#N)S(=O)(=O)Nc2ccc(Br)cc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAOA P21397 1/20 0.46
MAPT P10636 5/20 0.43
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 1/20 0.39
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL4175133 1.00 CA12 (0.50) CA12CA1CA2CA9MAOA
SCHEMBL4175126 1.00 CA12 (0.50) CA12CA1CA2CA9MAOA
SCHEMBL4189137 0.91 CA1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL4189129 0.91 CA1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL4189136 0.91 CA1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL4172568 0.88 CA12 (0.50) CA12CA1CA2CA9MAOA
SCHEMBL4172561 0.88 CA12 (0.50) CA12CA1CA2CA9MAOA
SCHEMBL4172567 0.88 CA12 (0.50) CA12CA1CA2CA9MAOA
SCHEMBL4179357 0.84 HPGD (0.54) CA12CA1CA2CA9MAOA
SCHEMBL4179361 0.84 HPGD (0.54) CA12CA1CA2CA9MAOA

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 CA12 2120/4885CA1 3291/4885CA2 3164/4885

“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.