SCHEMBL5186200

SCHEMBL5186200

CC(C)S(=O)(=O)NCC(C)(O)c1ccc(N(C=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
NR1H3 Q13133 1/20 0.37
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 2/20 0.35
RORC P51449 2/20 0.35
NR1I2 O75469 1/20 0.35
RORA P35398 1/20 0.35
RORB Q92753 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MMP2 P08253 1/20 0.34
MLYCD O95822 1/20 0.34
KCNH2 Q12809 1/20 0.33
HSD11B1 P28845 3/20 0.33
EPHX2 P34913 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
SCHEMBL5188440 0.90 NR1H3 (0.38) GRIA4GRIA1GRIA2GRIA3NR1H3
SCHEMBL5186217 0.87 GRIA4 (0.42) GRIA4GRIA1GRIA2GRIA3NR1H3
SCHEMBL5185957 0.85 KMT2A (0.40) GRIA4CYP2C19NR1H4HSD11B1EPHX2
SCHEMBL5187315 0.85 GRIA2 (0.57) GRIA4GRIA1GRIA2GRIA3CYP2C19
SCHEMBL5188419 0.80 CYP2C19 (0.34) GRIA4CYP2C19NR1H4HSD11B1EPHX2
SCHEMBL14394674 0.78 MLYCD (0.49) GRIA4GRIA1GRIA2GRIA3MLYCD
SCHEMBL6563345 0.78 CYP2C19 (0.53) GRIA4GRIA1GRIA2CYP2C19NR1H4
SCHEMBL5186068 0.78 NR1H3 (0.38) GRIA4GRIA1GRIA2GRIA3NR1H3
SCHEMBL5187876 0.76 CYP2C19 (0.37) GRIA4CYP2C19MLYCD
SCHEMBL13256290 0.74 CYP2C19 (0.49) GRIA4GRIA1GRIA2GRIA3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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 GRIA4 811/4885GRIA1 1459/4885GRIA2 1055/4885

“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.