SCHEMBL5188472

SCHEMBL5188472

CCCS(=O)(=O)NCC(C)(O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.34
ESRRG P62508 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FDPS P14324 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6563349 0.92 CYP2C19 (0.51) CYP2C19MAPTMEN1ALDH1A1CYP3A4
SCHEMBL5188497 0.87 CYP2C19 (0.47) CYP2C19MAPTMEN1ALDH1A1CYP3A4
SCHEMBL5185899 0.85 CYP2C19 (0.46) CYP2C19CA1CA2ALDH1A1KMT2A
SCHEMBL5186084 0.83 KMT2A (0.45) CYP2C19MAPTMEN1ALDH1A1KMT2A
SCHEMBL5187874 0.82 CYP2C19 (0.44) CYP2C19CA12CA1CA2CA9
SCHEMBL5188550 0.81 HSD11B1 (0.45) CYP2C19CA12CA1CA2CA9
SCHEMBL5187963 0.80 CYP2C19 (0.41) CYP2C19ALDH1A1CYP3A4EPHX2
SCHEMBL5187419 0.79 CYP2C19 (0.40) CYP2C19ALDH1A1CYP1A2
SCHEMBL5187319 0.79 KIF11 (0.44) CYP2C19CA12CA1CA2CA9
SCHEMBL5188470 0.78 GRIA4 (0.48) CYP2C19CA12CA1CA2CA9

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 11 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-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 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-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 WO 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 (2 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 CYP2C19 857/4885CA12 1432/4885CA1 623/4885
US-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 CYP2C19 1569/4885CA12 422/4885CA1 348/4885

“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.