SCHEMBL5187253

SCHEMBL5187253

CCCS(=O)(=O)NCC(C)(F)c1ccc(-c2cccc(N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
KIF11 P52732 3/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAOA P21397 1/20 0.36
CDK2 P24941 2/20 0.35
PLK4 O00444 1/20 0.35
DCLK1 O15075 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
ROS1 P08922 1/20 0.35
PRKACA P17612 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
SCHEMBL5186197 0.86 KIF11 (0.41) KIF11PTGES2PTPN1GRIA4CYP3A4
SCHEMBL3043018 0.83 KIF11 (0.61) KIF11CLK4CYP3A4
SCHEMBL5188424 0.82 CA12 (0.42) CA12CA1CA2CA9KIF11
SCHEMBL5187248 0.82 GRIA4 (0.42) CA12CA1CA2CA9KIF11
SCHEMBL6561643 0.82 ALDH1A1 (0.39) CA12CA1CA2CA9KIF11
SCHEMBL5187825 0.81 CYP17A1 (0.46) KIF11CNR1CYP17A1CYP3A4CYP11B1
SCHEMBL5187343 0.81 CYP3A4 (0.43) KIF11CNR1CDK2PLK4DAPK3
SCHEMBL5186164 0.81 KIF11 (0.50) CA12CA1CA2CA9KIF11
SCHEMBL6155949 0.81 KIF11 (0.50) CA12CA1CA2CA9KIF11
SCHEMBL6155989 0.81 KIF11 (0.50) CA12CA1CA2CA9KIF11

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP claimed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US claimed
JP-2002543177-A 2002-12-17 JP claimed
EP-1183232-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-06 EP claimed
WO-2000066546-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2000-11-09 WO claimed
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US disclosed
EP-1330233-B1 METHOD OF TREATING STROKE LILLY CO ELI (US) 2005-02-02 EP disclosed
US-20040063680-A1 Method of treating stroke CLEMENS JAMES ALLEN (US) 2004-04-01 US disclosed
EP-1330233-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2003-07-30 EP disclosed
US-20030092770-A1 Combination therapy for treatment of depression ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1292311-A2 COMBINATION THERAPY FOR THE TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2003-03-19 EP disclosed
WO-2002032389-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2002-04-25 WO disclosed
EP-1183232-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2001089530-A2 COMBINATION THERAPY FOR TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001089510-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2000066546-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2000-11-09 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 (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-20030092770-A1 Combination therapy for treatment of depression GRM2, GRIK2, GRIN2A CA12 1905/4885CA1 748/4885CA2 647/4885
US-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 CA12 422/4885CA1 348/4885CA2 233/4885

“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.