SCHEMBL5604939

SCHEMBL5604939

O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.71
CA2 P00918 8/20 0.71
CA9 Q16790 7/20 0.71
CA12 O43570 5/20 0.71
CASP3 P42574 3/20 0.65
NPSR1 Q6W5P4 1/20 0.53
CA4 P22748 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
CLTC Q00610 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ALDH2 P05091 1/20 0.50
CHRM1 P11229 1/20 0.50
CES1 P23141 1/20 0.50
ALDH3A1 P30838 1/20 0.50

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
SCHEMBL1179176 0.85 CA1 (0.73) CA1CA2CA9CA12CASP3
SCHEMBL31709781 0.85 CA1 (0.73) CA1CA2CA9CA12CASP3
SCHEMBL17946666 0.84 CASP3 (0.61) CA1CA2CA9CA12CASP3
SCHEMBL7837471 0.83 CA1 (1.00) CA1CA2CA9CA12CASP3
SCHEMBL27840845 0.82 CASP3 (0.79) CA1CA2CA9CA12CASP3
SCHEMBL30472950 0.82 CASP3 (0.85) CA1CA2CA9CA12CASP3
SCHEMBL326305 0.82 CASP3 (0.85) CA1CA2CA9CA12CASP3
SCHEMBL15486311 0.81 CA1 (0.68) CA1CA2CA9CA12CASP3
SCHEMBL28611590 0.80 CA1 (0.66) CA1CA2CA9CA12CASP3
SCHEMBL2570317 0.79 CASP3 (0.73) CA1CA2CA9CA12CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001932-A2 SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
WO-2007001932-A2 SUBSTITUTED ISOTHIAZOLONES AS INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
US-20060293374-A1 Substituted isothiazolones JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 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-20060293374-A1 Substituted isothiazolones LTB4R2, PTGES2, CYSLTR2 CA1 4105/4885CA2 2665/4885CA9 4553/4885

“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.