SCHEMBL2929578

SCHEMBL2929578

CS(=O)(=O)c1ccc2c(c1)cc(C1CCOCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
ACLY P53396 2/20 0.39
NR1H2 P55055 1/20 0.38
DRD2 P14416 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
CNR1 P21554 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2928503 0.85 HTR6 (0.47) ACLYPPARGPPARACNR1KMT2A
SCHEMBL2930588 0.82 PTGS1 (0.38) NR1H2DRD2PPARGPPARACA12
SCHEMBL26863379 0.75 CFTR (0.40) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2929576 0.73 CA12 (0.41) PIK3CBATRATRIPACLYPPARG
SCHEMBL28411710 0.72 NOD1 (0.53) CA12CA2CA9KMT2AMEN1
SCHEMBL28408415 0.69 ALOX5 (0.53) CA12CA2CA9KMT2AMEN1
SCHEMBL2928475 0.68 PTGS2 (0.55) PPARGPPARAKMT2AMEN1PTGS2
SCHEMBL2925592 0.67 CA12 (0.42) ATRACLYPPARGPPARACA12
SCHEMBL734039 0.67 OPRL1 (0.43) CA12CA2CA9ALDH1A1
SCHEMBL7501687 0.67 HTR6 (0.45) DRD2POLB

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 PRKDC 4673/4885PIK3CB 4525/4885MTOR 2202/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PRKDC 4551/4885PIK3CB 4362/4885MTOR 2675/4885

“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.