SCHEMBL2929576

SCHEMBL2929576

CS(=O)(=O)c1ccc2c(c1)cc(C1=CCOCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 1/20 0.41
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CA P42336 4/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
PIK3R1 P27986 2/20 0.37
HTR6 P50406 4/20 0.35
CREBBP Q92793 1/20 0.35
ACLY P53396 1/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2928502 0.86 HTR6 (0.45) CA12CA9CA2PIK3CDPIK3CA
SCHEMBL2920933 0.73 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL2929578 0.73 PRKDC (0.40) CA12CA9CA2PTGS1PTGS2
SCHEMBL2925592 0.72 CA12 (0.42) CA12CA9CA2CREBBPACLY
SCHEMBL2925451 0.70 CA12 (0.48) CA12CA9CA2PTGS1PTGS2
SCHEMBL2930588 0.69 PTGS1 (0.38) CA12CA9CA2PTGS1PTGS2
SCHEMBL2928351 0.67 CDK5 (0.39) CA12CA9CA2PIK3CDPIK3CA
SCHEMBL13197452 0.67 CA12 (0.49) CA12CA9CA2HTR6CREBBP
SCHEMBL2928475 0.66 PTGS2 (0.55) PTGS2PPARGPPARAKMT2A
SCHEMBL1815402 0.65 LMNA (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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 CA12 1222/4885CA9 396/4885CA2 101/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 CA12 2770/4885CA9 587/4885CA2 232/4885

“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.