SCHEMBL5359588

SCHEMBL5359588

CS(=O)(=O)OCC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KIF11 P52732 6/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 2/20 0.37
PTGS2 P35354 1/20 0.34
NR1H2 P55055 1/20 0.34
PTGES O14684 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL5488269 0.85 KMT2A (0.39) KMT2AKIF11CA1CA2CA9
SCHEMBL5356150 0.82 CHRM2 (0.37) EGLN1CA1CA2CA9CA12
SCHEMBL6200902 0.79 LMNA (0.41) KMT2AEGLN1CA1CA2CA9
SCHEMBL3452817 0.78 CA12 (0.51) KMT2ACA1CA2CA9CA12
SCHEMBL5035354 0.78 LSS (0.46) KIF11EGLN1PTGS2
SCHEMBL5039973 0.78 ESR1 (0.34) KIF11PTGS2
SCHEMBL7571307 0.78 APP (0.44) EGLN1CA1CA2CA9CA12
SCHEMBL6198001 0.72 CHRM2 (0.33)
SCHEMBL3943848 0.72 KIF11 (0.44) KIF11
SCHEMBL20183928 0.72 LMNA (0.50) KMT2A

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
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP disclosed
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-04-06 US disclosed
US-6998416-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-02-14 US disclosed
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US disclosed
US-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION 2004-02-05 US disclosed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 US disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO 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 (3 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-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE7A KMT2A 4014/4885KIF11 4045/4885EGLN1 1909/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A KMT2A 4014/4885KIF11 4045/4885EGLN1 1909/4885
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A KMT2A 4014/4885KIF11 4045/4885EGLN1 1909/4885

“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.