SCHEMBL2928475

SCHEMBL2928475

COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.55
NOD2 Q9HC29 4/20 0.52
NOD1 Q9Y239 4/20 0.52
HDAC3 O15379 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CCR2 P41597 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL18416800 0.86 NOD2 (0.59) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL9617940 0.86 NOD2 (0.64) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL16486105 0.85 NOD2 (0.58) PTGS2NOD2NOD1HDAC3HDAC4
SCHEMBL2926552 0.84 HDAC3 (0.50) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL18369587 0.82 PPARG (0.58) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL2927020 0.80 PTGS2 (0.42) PTGS2NOD2NOD1HDAC3HDAC4
SCHEMBL14627380 0.80 NOD1 (0.78) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL10555109 0.80 ALDH1A1 (0.49) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL10767782 0.79 NOD1 (0.62) PTGS2NOD2NOD1HDAC3HDAC4
SCHEMBL18824208 0.78 NOD2 (0.47) NOD2NOD1HDAC3HDAC4HDAC1

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 PTGS2 1/4885NOD2 120/4885NOD1 87/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PTGS2 4/4885NOD2 109/4885NOD1 26/4885

“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.