SCHEMBL4948071

SCHEMBL4948071

Nc1ccsc1-c1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.54
CYP2A6 P11509 5/20 0.38
DRD1 P21728 2/20 0.37
HSD17B10 Q99714 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 4/20 0.32
STS P08842 1/20 0.32
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2A13 Q16696 1/20 0.31
PTGS2 P35354 2/20 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
SCHEMBL4952546 0.78 CYP3A4 (0.50) PTGS1HSD17B10KIF11ALDH1A1KDM4E
SCHEMBL4948064 0.77 PTGS1 (0.50) PTGS1CYP2A6DRD1HSD17B10ALDH5A1
SCHEMBL15332349 0.76 PTGS1 (0.56) PTGS1CYP2A6DRD1HSD17B10ALDH5A1
SCHEMBL5963985 0.76 PTGS1 (0.56) PTGS1CYP2A6ALDH1A1TYRCYP2A13
SCHEMBL4951483 0.73 MAP4K4 (0.41) PTGS1HSD17B10KIF11ALDH1A1KDM4E
SCHEMBL4375211 0.73 PTGS1 (0.53) PTGS1CYP2A6DRD1HSD17B10ALDH5A1
SCHEMBL8289756 0.72 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL3128189 0.72 MAPT (0.41) CYP2A6ALDH1A1
SCHEMBL7457943 0.72 CASP3 (0.41) CYP2A6HSD17B10ALDH1A1KDM4EPTGS2
SCHEMBL4197618 0.72 MAPK14 (0.50) PTGS1HSD17B10ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 PTGS1 1216/4885CYP2A6 2442/4885DRD1 1607/4885

“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.