SCHEMBL6628482

SCHEMBL6628482

CCOC(=O)Cc1cc(C(N)=O)sc1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
EGFR P00533 1/20 0.39
DPP4 P27487 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
FHIT P49789 1/20 0.37

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
SCHEMBL6628139 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL8616950 0.74 CYP4F2 (0.46) ALDH1A1KMT2AMEN1GAAMAPK1
SCHEMBL6628875 0.73 TTR (0.44) SMN1; SMN2DPP4NPC1PKM
SCHEMBL6629330 0.73 TTR (0.44) SMN1; SMN2DPP4NPC1PKM
SCHEMBL6628876 0.73 TTR (0.44) SMN1; SMN2DPP4NPC1PKM
SCHEMBL5810846 0.72 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL21437528 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL6626640 0.70 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL8188113 0.70 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL4933891 0.70 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
EP-1301517-B1 THIENOPYRROLIDINONES HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 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 SMN1; SMN2 342/4885ALDH1A1 2036/4885KMT2A 3534/4885

“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.