SCHEMBL2921187

SCHEMBL2921187

COC(=O)c1cc2cc(S(C)(=O)=O)cnc2n1Cc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 5/20 0.42
TP53 P04637 1/20 0.41
P2RX3 P56373 1/20 0.38
F10 P00742 1/20 0.37
PTGS1 P23219 1/20 0.37
CNR2 P34972 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL2929131 0.87 PTGS2 (0.56) PTGS2L3MBTL1LMNAMAPTTP53
SCHEMBL2927904 0.74 PTGS2 (0.37) PTGS2PTGS1CNR2PCSK9
SCHEMBL2931092 0.70 MAPT (0.47) PTGS2L3MBTL1LMNAMAPTTP53
SCHEMBL2924511 0.70 CNR2 (0.40) PTGS2L3MBTL1MAPTCNR2PTGDR2
SCHEMBL2927020 0.70 PTGS2 (0.42) PTGS2LMNAMAPTPTGDR2
SCHEMBL2929297 0.69 PTGS2 (0.82) PTGS2L3MBTL1LMNAMAPTTP53
SCHEMBL5346799 0.68 PTGS2 (0.44) PTGS2PTGS1PTGDR2
SCHEMBL2927533 0.68 THRB (0.44) PTGS2TP53CNR2PTGDR2
SCHEMBL2950674 0.66 PPARG (0.51) MAPT
SCHEMBL2926100 0.65 CNR2 (0.42) PTGS2LMNACNR2PTGDR2

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 1/4885L3MBTL1 4654/4885LMNA 4595/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PTGS2 4/4885L3MBTL1 4686/4885LMNA 4535/4885

“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.