SCHEMBL5187397

SCHEMBL5187397

CCNC(=O)c1ccc(-c2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRIA4 P48058 6/20 0.43
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 2/20 0.42
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MLYCD O95822 1/20 0.39
TAOK1 Q7L7X3 2/20 0.38
TAOK3 Q9H2K8 2/20 0.38
ANPEP P15144 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
P2RY14 Q15391 1/20 0.37

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
SCHEMBL2143206 0.88 GRIA4 (0.44) HDAC4HDAC6GRIA4EPHX2NR1H4
SCHEMBL2461910 0.88 GRIA4 (0.44) HDAC4HDAC6GRIA4EPHX2NR1H4
SCHEMBL14394695 0.88 GRIA4 (0.44) HDAC4HDAC6GRIA4EPHX2NR1H4
SCHEMBL5186058 0.86 GRIA4 (0.57) GRIA4EPHX2NR1H4
SCHEMBL3711628 0.86 GRIA4 (0.48) GRIA4
SCHEMBL13255710 0.86 GRIA4 (0.48) GRIA4
SCHEMBL5186190 0.85 GRIA4 (0.44) GRIA4EPHX2NR1H4CA12CA9
SCHEMBL5187928 0.83 GRIA4 (0.43) HDAC4GRIA4EPHX2NR1H4MLYCD
SCHEMBL5187403 0.83 HDAC4 (0.43) HDAC4HDAC6EPHX2NR1H4CA12
SCHEMBL8294927 0.82 GRIA4 (0.41) GRIA4EPHX2NR1H4

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 7 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
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP disclosed
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 HDAC4 782/4885HDAC6 110/4885GRIA4 811/4885

“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.