SCHEMBL5187235

SCHEMBL5187235

CCCS(=O)(=O)NCC(C)(O)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PRMT1 Q99873 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5187806 0.87 NPC1 (0.52) LMNAHDAC3HDAC1HDAC2NCOR2
SCHEMBL6563349 0.83 CYP2C19 (0.51) CYP2C19ALDH1A1MAPTGAAMEN1
SCHEMBL5187225 0.82 GRIA4 (0.63) LMNACYP2C19NPC1RAB9APRMT1
SCHEMBL6573861 0.81 CYP2C19 (0.47) HDAC3HDAC1HDAC2NCOR2CYP2C19
SCHEMBL5186149 0.80 CYP2C19 (0.34) LMNAHDAC3CYP2C19NPC1RAB9A
SCHEMBL5186093 0.79 MAPK1 (0.43) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5188497 0.78 CYP2C19 (0.47) LMNACYP2C19ALDH1A1MAPTMEN1
SCHEMBL5185899 0.77 CYP2C19 (0.46) CYP2C19ALDH1A1KMT2ACA1CA2
SCHEMBL5188472 0.77 CYP2C19 (0.46) CYP2C19NPC1RAB9AALDH1A1MAPT
SCHEMBL5186040 0.77 SIRT1 (0.49) CA12CA1CA2CA9

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 LMNA 1685/4885HDAC3 959/4885HDAC1 1484/4885

“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.