SCHEMBL3108312

SCHEMBL3108312

CCOC(=O)c1cc(CCCCCCCOC(C)=O)sc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.63
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 6/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 4/20 0.47
ALOX15 P16050 3/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.40
REV1 Q9UBZ9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 2/20 0.39
HIF1A Q16665 1/20 0.39
NOD2 Q9HC29 1/20 0.38

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
SCHEMBL3103464 0.95 GAA (0.66) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL1976156 0.87 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3107873 0.87 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL15277871 0.87 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL1976632 0.87 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3113240 0.87 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3113249 0.85 GAA (0.71) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL810348 0.81 GAA (0.77) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3095198 0.79 GAA (0.55) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL1973680 0.78 GAA (1.00) GAAMAPK1ALDH1A1HSD17B10MAPT

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
US-8324227-B2 Thieno[2,3-D]-pyrimidin-4(3H)-one compounds with antifungal properties and process thereof FDC LIMITED (US) 2012-12-04 US disclosed
EP-2257555-B1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF NAT CHEMICAL LAB (IN) 2012-07-04 EP disclosed
EP-2257555-A1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF National Chemical Laboratory (IN) 2010-12-08 EP disclosed
US-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF FDC LIMITED 2010-10-28 US disclosed
WO-2009109983-A1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF NATIONAL CHEMICAL LABORATORY (IN) 2009-09-11 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-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF ERG28, DPM1, CYP51A1 GAA 228/4885MAPK1 1319/4885ALDH1A1 834/4885

“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.