SCHEMBL6628875

SCHEMBL6628875

CCOC(=O)/C=C/c1cc(CC(=O)OCC)c(N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.40
CNKSR1 Q969H4 1/20 0.40
BACE1 P56817 2/20 0.40
FDPS P14324 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS2 P35354 1/20 0.37
PKM P14618 1/20 0.36
P2RY12 Q9H244 1/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL6629330 1.00 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL6628876 1.00 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL6627847 0.81 TTR (0.41) TTRDPP4CA12CA1CA2
SCHEMBL6628482 0.73 SMN1; SMN2 (0.46) DPP4SMN1; SMN2NPC1PKM
SCHEMBL963057 0.72 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL963055 0.72 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL9315134 0.71 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL29709927 0.70 TTR (0.43) TTRDPP4CA12CA1CA2
SCHEMBL12644866 0.70 TTR (0.48) TTRDPP4CA12CA1CA2
SCHEMBL12681711 0.70 SMN1; SMN2 (0.51) TTRDPP4CA12CA1CA2

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-1301517-B1 THIENOPYRROLIDINONES HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A TTR 425/4885DPP4 1868/4885CA12 4879/4885

“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.