SCHEMBL4184916

SCHEMBL4184916

NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ HSD11B1 P28845 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.46
▸ FBP1 P09467 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA1 P00915 2/20 0.43

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
SCHEMBL4184924 1.00 BRAF (0.52) BRAFALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4184921 1.00 BRAF (0.52) BRAFALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4184894 0.84 MAOA (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EMAOB
SCHEMBL4184895 0.84 MAOA (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EMAOB
SCHEMBL4184889 0.84 MAOA (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EMAOB
SCHEMBL4185174 0.81 PKM (0.57) BRAFALDH1A1KDM4EHSD11B1FBP1
SCHEMBL4185180 0.81 PKM (0.57) BRAFALDH1A1KDM4EHSD11B1FBP1
SCHEMBL4185178 0.81 PKM (0.57) BRAFALDH1A1KDM4EHSD11B1FBP1
SCHEMBL29289233 0.77 PKM (0.67) BRAFALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29289228 0.77 PKM (0.67) BRAFALDH1A1SMN1; SMN2MAPTKDM4E

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 1 patent. 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 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 BRAF 372/4885ALDH1A1 249/4885SMN1; SMN2 448/4885

“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.

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