Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004184

SCHEMBL2004184

SCHEMBL2004184

CC(C)(C)OC(=O)NCc1cc(F)c(S(C)(=O)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ BAZ2A Q9UIF9 1/20 0.41
▸ KDM4A O75164 1/20 0.40
▸ CA12 O43570 5/20 0.39
▸ CA1 P00915 5/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL32665148 0.82 KDM4A (0.42) KDM4ACA12CA1CA2CA9
SCHEMBL2002789 0.81 KDM4A (0.41) KDM4ACA12CA1CA2CA9
SCHEMBL25574990 0.81 AAK1 (0.49) KDM4ACA12CA1CA2CA9
SCHEMBL32665424 0.81 EPAS1 (0.39) KDM4ACA12CA1CA2CA9
SCHEMBL22482387 0.79 KDM4A (0.44) KDM4ACA12CA1CA2CA9
SCHEMBL29675308 0.79 KDM4A (0.44) KDM4ACA12CA1CA2CA9
SCHEMBL29467997 0.78 KDM4A (0.41) KDM4ACA12CA1CA2CA9
SCHEMBL3154474 0.77 TRPA1 (0.46) KDM4ACACNA1HCACNA1BCACNA1CKCNA5
SCHEMBL22482386 0.77 KDM4A (0.43) KDM4ACA12CA1CA2CA9
SCHEMBL29675302 0.77 KDM4A (0.43) KDM4ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960584-B2 3-(4-t-butyl-phenyl)-N-(4-methanesulfonylamino-benzyl)-2-methyl-acrylamide; pain, migraine, arthralgia, neuralgia, neuropathies, nerve injury, skin disorder, urinary bladder hypersensitiveness, irritable bowel syndrome, fecal urgency, a respiratory disorder, irritation of skin, eye or mucous membrane AMOREPACIFIC CORPORATION (KR) 2011-06-14 — — US disclosed
US-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same AMOREPACIFIC CORPORATION (KR) 2008-09-25 — — US disclosed
EP-1861358-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 — — EP disclosed
WO-2006101321-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 — — WO 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-20080234383-A1 Novel Compounds, Isomer Thereof, or Pharmaceutically Acceptable Salts Thereof as Vanilloid Receptor Antagonist; and Pharmaceutical Compositions Containing the Same TRPV1, TRPA1, TRPV5 BRD9 2822/4885BAZ2B 4146/4885BAZ2A 3865/4885

“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.