SCHEMBL2925246

SCHEMBL2925246

CS(=O)(=O)c1cnc2c(c1)cc(-c1ncco1)n2Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
CNR2 P34972 4/20 0.39
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C19 P33261 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
USP2 O75604 3/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 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
SCHEMBL2922100 0.85 CNR2 (0.42) PTGS2CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL2922392 0.84 CNR2 (0.46) PTGS2CNR2CNR1ADORA1
SCHEMBL2921345 0.83 PTGS2 (0.43) PTGS2CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL2925799 0.83 CYP3A4 (0.38) PTGS2CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL2926006 0.81 PTGS2 (0.41) PTGS2CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL2924583 0.80 PTGS2 (0.41) PTGS2CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL2926100 0.79 CNR2 (0.42) PTGS2CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL13628822 0.78 CYP1A2 (0.37) CNR2CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL2925653 0.78 CYP1A2 (0.43) PTGS2CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL2927652 0.77 PTGS2 (0.42) PTGS2CNR2CYP1A2CYP3A4CYP2C19

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 13 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-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US claimed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 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
EP-2213661-A1 c-Met Modulators and Methods of Use Exelixis Inc. (US) 2010-08-04 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 1/4885CNR2 21/4885CYP1A2 22/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 PTGS2 4/4885CNR2 25/4885CYP1A2 18/4885

“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.