SCHEMBL5186197

SCHEMBL5186197

CCCS(=O)(=O)NCC(C)(F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
GRIA4 P48058 1/20 0.41
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
NR3C2 P08235 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
PTPN5 P54829 1/20 0.36
NR3C1 P04150 1/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTPN1 P18031 2/20 0.36
ACLY P53396 1/20 0.36
PPARD Q03181 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6561643 0.90 ALDH1A1 (0.39) KIF11GRIA4NR3C2NR3C1CYP2C19
SCHEMBL5186063 0.87 RXRA (0.40) KIF11GRIA4ALDH1A1
SCHEMBL5187253 0.86 CA12 (0.41) KIF11GRIA4PTGES2CYP3A4PTPN1
SCHEMBL5187821 0.86 KIF11 (0.48) KIF11NR3C2CYP2C19CYP3A4CYP11B1
SCHEMBL5186196 0.85 KIF11 (0.39) KIF11GRIA4MMP13PTGES2CYP2C19
SCHEMBL5186164 0.85 KIF11 (0.50) KIF11PTGES2
SCHEMBL5186139 0.85 KIF11 (0.39) KIF11GRIA4NR3C1CYP2C19ALDH1A1
SCHEMBL6155949 0.85 KIF11 (0.50) KIF11PTGES2
SCHEMBL6155989 0.85 KIF11 (0.50) KIF11PTGES2
SCHEMBL5186056 0.84 KIF11 (0.44) KIF11GRIA4PTPN5TSHR

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 KIF11 338/4885GRIA4 811/4885MMP8 182/4885

“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.