SCHEMBL2924587

SCHEMBL2924587

CS(=O)(=O)c1ccc2c(c1)cc(-c1ccco1)n2Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.58
CCR2 P41597 1/20 0.44
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MAPT P10636 5/20 0.40
THRB P10828 1/20 0.40
TBXA2R P21731 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GNRHR P30968 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2922392 0.82 CNR2 (0.46) PTGS2ADORA2AADORA1MAPTTHRB
SCHEMBL2920685 0.81 PTGS2 (0.56) PTGS2CCR2TBXA2R
SCHEMBL2925335 0.79 PTGS2 (0.56) PTGS2CCR2TBXA2RGNRHRTSHR
SCHEMBL2924094 0.79 PTGS2 (0.67) PTGS2CCR2TBXA2RSMN1; SMN2GNRHR
SCHEMBL2922397 0.78 PTGS2 (0.66) PTGS2CCR2TBXA2RGNRHR
SCHEMBL2921335 0.78 PTGS2 (0.60) PTGS2CCR2TBXA2RGNRHR
SCHEMBL2923546 0.78 PTGS2 (0.60) PTGS2CCR2GNRHR
SCHEMBL2922718 0.78 PTGS2 (0.57) PTGS2CCR2MAPTTBXA2RGNRHR
SCHEMBL2924450 0.77 PTGS2 (0.52) PTGS2CCR2MAPTTBXA2RGNRHR
SCHEMBL13628832 0.77 TRPC5 (0.38) PTGS2MAPTTRPC5KDM4EALDH1A1

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 181/4885ADORA2A 99/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PTGS2 4/4885CCR2 274/4885ADORA2A 202/4885

“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.