SCHEMBL2928787

SCHEMBL2928787

CS(=O)(=O)c1cnc2c(c1)cc(-c1nc[nH]c(=O)c1F)n2Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
PTGS2 P35354 2/20 0.39
CNR1 P21554 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.35
CYP3A4 P08684 8/20 0.35
CYP2C9 P11712 6/20 0.35
CYP1A2 P05177 6/20 0.35
USP2 O75604 5/20 0.35
CYP2C19 P33261 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CASP1 P29466 4/20 0.35
TSHR P16473 3/20 0.35
HIF1A Q16665 3/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2927652 0.83 PTGS2 (0.42) CNR2PTGS2CNR1CYP3A4CYP2C9
SCHEMBL2925653 0.80 CYP1A2 (0.43) CNR2PTGS2CNR1CYP3A4CYP2C9
SCHEMBL2921345 0.79 PTGS2 (0.43) CNR2PTGS2CNR1CYP3A4CYP2C9
SCHEMBL2926100 0.77 CNR2 (0.42) CNR2PTGS2CNR1CYP3A4CYP2C9
SCHEMBL2926006 0.77 PTGS2 (0.41) CNR2PTGS2CYP3A4CYP2C9CYP1A2
SCHEMBL2922392 0.76 CNR2 (0.46) CNR2PTGS2CNR1
SCHEMBL2925246 0.76 PTGS2 (0.41) CNR2PTGS2CNR1CYP3A4CYP2C9
SCHEMBL2924583 0.76 PTGS2 (0.41) CNR2PTGS2CNR1MEN1KMT2A
SCHEMBL2922100 0.75 CNR2 (0.42) CNR2PTGS2CNR1CYP3A4CYP2C9
SCHEMBL2927533 0.74 THRB (0.44) CNR2PTGS2CNR1CYP3A4CYP2C9

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 CNR2 21/4885MPO 580/4885TPO 1822/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 CNR2 25/4885MPO 610/4885TPO 2534/4885

“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.