SCHEMBL2928503

SCHEMBL2928503

CSc1ccc2c(c1)cc(C1CCOCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
ACLY P53396 2/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
CNR1 P21554 1/20 0.35
PPARD Q03181 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL2929578 0.85 PRKDC (0.40) ACLYSMN1; SMN2PPARGPPARACNR1
SCHEMBL5801948 0.77 HTR6 (0.48) HTR6ACLYTP53MAPTSMN1; SMN2
SCHEMBL2928793 0.76 HTR6 (0.41) HTR6TP53MAPTSMN1; SMN2PPARG
SCHEMBL6117267 0.73 CA12 (0.55) HTR6ACLYMAPTALDH1A1
SCHEMBL2928502 0.73 HTR6 (0.45) HTR6ACLYTP53MAPTSMN1; SMN2
SCHEMBL2925787 0.72 CCR2 (0.52) HTR6ACLYMAPTPPARGPPARA
SCHEMBL26863379 0.72 CFTR (0.40) MAPTSMN1; SMN2HTTALDH1A1MEN1
SCHEMBL2954808 0.71 HDAC3 (0.47) HTR6MAPTPPARGPPARAPPARD
SCHEMBL2927852 0.70 HTR6 (0.43) HTR6MAPTPPARGPPARAPPARD
SCHEMBL2926552 0.69 HDAC3 (0.50) HTR6MAPTPPARGPPARAPPARD

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 171/4885ACLY 2866/4885TP53 1460/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 HTR6 165/4885ACLY 3757/4885TP53 2593/4885

“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.