SCHEMBL2929863

SCHEMBL2929863

Nc1ccccc1S(=O)(=O)CI

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
CA9 Q16790 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA12 O43570 2/20 0.56
CA6 P23280 2/20 0.56
CYP2C9 P11712 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
KYNU Q16719 2/20 0.51
HTR6 P50406 1/20 0.50
TTR P02766 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7288933 0.84 GAA (0.60) GAACA9CA1CA2CA4
SCHEMBL1972988 0.80 GAA (0.60) GAACA9CA1CA2CA4
SCHEMBL11407296 0.78 GAA (0.58) GAACA9CA1CA2CA4
SCHEMBL16797072 0.78 GAA (0.58) GAACA9CA1CA2CA4
SCHEMBL7288937 0.78 GAA (0.58) GAACA9CA1CA2CA4
SCHEMBL11331290 0.77 CA2 (0.59) GAACA9CA1CA2CA4
SCHEMBL10826348 0.77 GAA (0.56) GAACA9CA1CA2CA4
SCHEMBL9337554 0.75 GAA (0.54) GAACA9CA1CA2CA4
SCHEMBL375690 0.75 GAA (0.54) GAACA9CA1CA2CA4
SCHEMBL635315 0.75 CA2 (0.57) GAACA9CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086950-B1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-09-29 EP disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-23 US disclosed
US-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US disclosed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6673797-B1 CYCLOOXYGENASE-2 INHIBITORS; TREATING INFLAMMATORY DISEASE INDUCED BY CYCLOOXYGENASE-2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-06 US disclosed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 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 (2 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-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative PTGS2, IDO2, IDO1 GAA 4084/4885CA9 396/4885CA1 583/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 GAA 4424/4885CA9 587/4885CA1 1050/4885

“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.