SCHEMBL5186196

SCHEMBL5186196

CCCS(=O)(=O)NCC(C)(F)c1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
GRIA4 P48058 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CDC25B P30305 1/20 0.31
DUSP3 P51452 1/20 0.31
PTGES2 Q9H7Z7 2/20 0.31

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 0.86 ALDH1A1 (0.39) KIF11GRIA4CYP3A4CYP2C9CYP2C19
SCHEMBL5186197 0.85 KIF11 (0.41) KIF11GRIA4CYP3A4CYP2C19CYP11B1
SCHEMBL5187963 0.85 CYP2C19 (0.41) KIF11GRIA4CYP3A4CYP2C9CYP2C19
SCHEMBL5186164 0.82 KIF11 (0.50) KIF11PTGES2
SCHEMBL6155949 0.82 KIF11 (0.50) KIF11PTGES2
SCHEMBL6155989 0.82 KIF11 (0.50) KIF11PTGES2
SCHEMBL5186139 0.82 KIF11 (0.39) KIF11GRIA4CYP3A4CYP2C9CYP2C19
SCHEMBL5186063 0.81 RXRA (0.40) KIF11GRIA4ALDH1A1EPHX2
SCHEMBL5186056 0.81 KIF11 (0.44) KIF11GRIA4HSD17B10
SCHEMBL5186185 0.81 GRIA4 (0.56) KIF11GRIA4MMP1MMP2MMP3

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 811/4885CYP3A4 3381/4885

“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.