SCHEMBL2930203

SCHEMBL2930203

CCOC(=O)c1ccc(-c2cc3cc(S(C)(=O)=O)ccc3n2S(=O)(=O)c2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.46
NOD1 Q9Y239 4/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACLY P53396 1/20 0.39
GBA1 P04062 2/20 0.39
PTGS2 P35354 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2929739 0.87 NPC1 (0.40) NOD2NOD1ALDH1A1MAPTALOX15
SCHEMBL2929374 0.79 NPC1 (0.39) NOD2NOD1ALDH1A1MAPTALOX15
SCHEMBL2925431 0.78 PTGS2 (0.48) NOD2NOD1ALDH1A1MAPTPTGS2
SCHEMBL2928321 0.73 PPARG (0.46) NOD2NOD1ALDH1A1PTGS2PPARG
SCHEMBL28536139 0.71 NOD2 (0.69) NOD2NOD1ALDH1A1MAPTALOX15
SCHEMBL2928475 0.69 PTGS2 (0.55) NOD2NOD1ALDH1A1MAPTMEN1
SCHEMBL2925451 0.69 CA12 (0.48) ACLYPTGS2
SCHEMBL2922490 0.69 PTGS2 (0.54) MAPTPTGS2LMNA
SCHEMBL1222552 0.68 NPC1 (0.62) ALDH1A1MAPTNPSR1NPC1RAB9A
SCHEMBL25811428 0.68 PTGDR2 (0.52) NOD2NOD1ALDH1A1MAPTALOX15

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 NOD2 120/4885NOD1 87/4885ALDH1A1 228/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 NOD2 109/4885NOD1 26/4885ALDH1A1 176/4885

“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.