SCHEMBL5186149

SCHEMBL5186149

CCCS(=O)(=O)NCC(C)(O)c1ccc(NC(=O)c2[c]ccs2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.31
HDAC3 O15379 1/20 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
SCHEMBL5186089 0.89 MEN1 (0.35) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL5187235 0.80 LMNA (0.52) CYP2C19LMNAMAPTMEN1KMT2A
SCHEMBL6563349 0.78 CYP2C19 (0.51) CYP2C19MAPTMEN1KMT2AKDM4E
SCHEMBL5186040 0.74 SIRT1 (0.49) CA1CA2
SCHEMBL5188497 0.73 CYP2C19 (0.47) CYP2C19LMNAMAPTMEN1KMT2A
SCHEMBL5186093 0.72 MAPK1 (0.43) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL5188472 0.72 CYP2C19 (0.46) CYP2C19MAPTMEN1KMT2ARAB9A
SCHEMBL5185899 0.72 CYP2C19 (0.46) CYP2C19KMT2AKDM4ECA1CA2
SCHEMBL5186084 0.70 KMT2A (0.45) CYP2C19LMNAMAPTMEN1KMT2A
SCHEMBL6573861 0.69 CYP2C19 (0.47) CYP2C19MAPTMEN1KMT2ATP53

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 CYP2C19 1569/4885LMNA 1685/4885MAPT 1262/4885

“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.