SCHEMBL2930588

SCHEMBL2930588

CS(=O)(=O)c1ccc2c(c1)cc(C1CCCO1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
PKM P14618 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.36
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 5/20 0.35
NR1H2 P55055 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CCR2 P41597 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.82 PRKDC (0.40) PTGS1PTGS2PPARGPPARAPPARD
SCHEMBL2921656 0.74 PTGS2 (0.48) PTGS1PTGS2CCR2MEN1KMT2A
SCHEMBL2929576 0.69 CA12 (0.41) PTGS1PTGS2PPARGPPARAPPARD
SCHEMBL3839489 0.69 PPARG (0.47) PPARGPPARAPPARDHTR6
SCHEMBL2928503 0.68 HTR6 (0.47) PPARGPPARAPPARDHTR6MEN1
SCHEMBL2928475 0.67 PTGS2 (0.55) PTGS2PPARGPPARALMNACCR2
SCHEMBL2922141 0.66 MEN1 (0.41) LMNAMEN1KMT2A
SCHEMBL2925592 0.66 CA12 (0.42) PKMPPARGPPARAPPARDLMNA
SCHEMBL28761637 0.66 PPARG (0.48) PPARGPPARAPPARDCA12CA2
SCHEMBL2925451 0.65 CA12 (0.48) PTGS1PTGS2HTR6CA12CA2

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 PTGS1 4/4885PTGS2 1/4885PKM 3158/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PTGS1 2/4885PTGS2 4/4885PKM 3705/4885

“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.