SCHEMBL4335722

SCHEMBL4335722

O=C(O)CC1CCc2ccccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PPARD Q03181 2/20 0.45
FFAR1 O14842 1/20 0.45
PYGL P06737 2/20 0.44
PYGM P11217 2/20 0.44
RIPK1 Q13546 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3710805 0.85 HSD17B10 (0.49) GLAHSD17B10PYGLPYGMNPC1
SCHEMBL4332417 0.85 DDB1 (0.48) HSD17B10PYGLPYGMRIPK1NPC1
SCHEMBL25556417 0.80 NPC1 (0.47) PYGLPYGMNPC1MAPK13MAPK12
SCHEMBL14614572 0.80 NPC1 (0.47) PYGLPYGMNPC1MAPK13MAPK12
SCHEMBL7691772 0.80 NPC1 (0.47) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL11118089 0.79 PYGL (0.38) HSD17B10PYGLPYGMRIPK1NPC1
SCHEMBL7543352 0.79 PYGL (0.38) HSD17B10PYGLPYGMRIPK1NPC1
SCHEMBL4322751 0.78 NPC1 (0.40) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL3457244 0.78 NPC1 (0.45) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL9107536 0.77 NPC1 (0.47) PYGLPYGMRIPK1NPC1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 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 (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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 GLA 3483/4885HSD17B10 2730/4885PPARD 2914/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 GLA 4209/4885HSD17B10 1950/4885PPARD 2593/4885

“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.