SCHEMBL3113232

SCHEMBL3113232

CCOC(=O)c1cc(CCc2ccccc2)sc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.66
MAPK1 P28482 2/20 0.66
MAPT P10636 11/20 0.62
ALDH1A1 P00352 9/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
RAB9A P51151 6/20 0.62
HSD17B10 Q99714 5/20 0.62
HPGD P15428 5/20 0.62
ALOX15 P16050 2/20 0.62
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 4/20 0.50
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
GRM6 O15303 2/20 0.46

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
SCHEMBL23827481 0.92 GAA (0.56) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL16689448 0.88 GAA (0.64) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL5864698 0.88 GAA (0.68) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL16689461 0.86 GAA (0.58) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL16690701 0.86 GAA (0.61) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL1973534 0.85 GAA (0.56) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL3095198 0.84 GAA (0.55) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL810348 0.83 GAA (0.77) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL6031033 0.83 GRM6 (0.44) GAAMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL16273597 0.83 GAA (0.54) GAAMAPK1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US claimed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US claimed
EP-2864312-A2 NOVEL ANTI-CANCER COMPOUNDS Katholieke Universiteit Leuven (BE) 2015-04-29 EP claimed
WO-2013190137-A2 NOVEL ANTI-CANCER COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-12-27 WO claimed
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed
EP-2864312-A2 NOVEL ANTI-CANCER COMPOUNDS Katholieke Universiteit Leuven (BE) 2015-04-29 EP disclosed
WO-2013190137-A2 NOVEL ANTI-CANCER COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-12-27 WO disclosed
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 (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-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF ERG28, DPM1, CYP51A1 GAA 228/4885MAPK1 1319/4885MAPT 2865/4885
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885MAPK1 1882/4885MAPT 4801/4885

“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.