SCHEMBL2920935

SCHEMBL2920935

CS(=O)(=O)c1ccc2c(c1)cc(C1CCOCC1)n2Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
CCR2 P41597 1/20 0.46
PDE1A P54750 2/20 0.43
PDE1B Q01064 2/20 0.43
PDE1C Q14123 2/20 0.43
GNRHR P30968 1/20 0.41
SLC6A9 P48067 1/20 0.41
PDE2A O00408 1/20 0.40
TBXA2R P21731 2/20 0.39
PTGS1 P23219 2/20 0.39
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
PARG Q86W56 1/20 0.37
PTGDR Q13258 1/20 0.37
PRKDC P78527 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL13176309 0.92 PDE1A (0.42) PTGS2CCR2PDE1APDE1BPDE1C
SCHEMBL2921656 0.84 PTGS2 (0.48) PTGS2CCR2GNRHRTBXA2RPTGS1
SCHEMBL13628852 0.78 PDE1A (0.39) PTGS2CCR2PDE1APDE1BPDE1C
SCHEMBL2929127 0.77 PTGS2 (0.56) PTGS2CCR2GNRHRTBXA2RPTGS1
SCHEMBL13637770 0.77 CCR2 (0.48) PTGS2CCR2GNRHRTBXA2RPTGS1
SCHEMBL2920933 0.75 PTGS2 (0.54) PTGS2CCR2GNRHRTBXA2RPTGS1
SCHEMBL2923938 0.74 PTGS2 (0.56) PTGS2CCR2GNRHRTBXA2RPTGS1
SCHEMBL2929234 0.73 PTGS2 (0.55) PTGS2CCR2GNRHRTBXA2RPTGS1
SCHEMBL2924383 0.73 CCR2 (0.76) PTGS2CCR2TBXA2R
SCHEMBL2927892 0.73 PTGS2 (0.61) PTGS2CCR2TBXA2RPTGS1

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 11 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 claimed
US-6673797-B1 CYCLOOXYGENASE-2 INHIBITORS; TREATING INFLAMMATORY DISEASE INDUCED BY CYCLOOXYGENASE-2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-06 US claimed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 EP claimed
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-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 1/4885CCR2 181/4885PDE1A 1874/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PTGS2 4/4885CCR2 274/4885PDE1A 1151/4885

“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.