SCHEMBL2928502

SCHEMBL2928502

CSc1ccc2c(c1)cc(C1=CCOCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.45
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
PIK3R1 P27986 2/20 0.37
CREBBP Q92793 1/20 0.35
ACLY P53396 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
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

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
SCHEMBL2929576 0.86 CA12 (0.41) HTR6CA12CA9CA2PIK3CD
SCHEMBL6117267 0.78 CA12 (0.55) HTR6CA12CA9CA2ACLY
SCHEMBL5801948 0.74 HTR6 (0.48) HTR6CA12CA9CA2ACLY
SCHEMBL2928503 0.73 HTR6 (0.47) HTR6ACLYTP53MAPTSMN1; SMN2
SCHEMBL2925579 0.72 HTR6 (0.40) HTR6CA12CA9CA2CREBBP
SCHEMBL2928793 0.72 HTR6 (0.41) HTR6CREBBPTP53MAPTSMN1; SMN2
SCHEMBL2925787 0.70 CCR2 (0.52) HTR6ACLYMAPTPPARGPPARA
SCHEMBL2927942 0.70 HTR6 (0.40) HTR6CA12CA9CA2ACLY
SCHEMBL2954808 0.69 HDAC3 (0.47) HTR6MAPTPPARGPPARAPPARD
SCHEMBL2927852 0.68 HTR6 (0.43) HTR6CA12CA9CA2MAPT

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 HTR6 171/4885CA12 1222/4885CA9 396/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 HTR6 165/4885CA12 2770/4885CA9 587/4885

“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.