SCHEMBL6501890

SCHEMBL6501890

CC(C)(C)OC(=O)Nc1cc[c]c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
ATR Q13535 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP17A1 P05093 3/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KAT6A Q92794 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
PSMB8 P28062 1/20 0.39
NAMPT P43490 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAP4K4 O95819 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27867916 0.82 CA12 (0.42) CA12CA1CA9ATRHDAC3
SCHEMBL22831626 0.81 CA1 (0.45) CA12CA1CA9HDAC3HDAC1
SCHEMBL6465870 0.80 HPGD (0.60) MEN1KMT2A
SCHEMBL28185162 0.80 ALDH1A1 (0.45) CA12CA1CA9ATRHDAC3
SCHEMBL6502508 0.80 KDM4E (0.51) ALDH1A1
SCHEMBL10344871 0.79 L3MBTL1 (0.55) CA12CA1CA9ALDH1A1GAA
SCHEMBL2459851 0.78 ALDH1A1 (0.47) CA12CA1CA9ALDH1A1MEN1
SCHEMBL27962208 0.78 EGLN2 (0.42) CA12CA1CA9HDAC3HDAC1
SCHEMBL16303890 0.78 EPHX1 (0.58) CA12CA1CA9ALDH1A1GAA
SCHEMBL27894679 0.77 ATR (0.40) CA12CA1CA9ATRHDAC3

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-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A CA12 560/4885CA1 873/4885CA9 115/4885

“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.