SCHEMBL3113240

SCHEMBL3113240

CCCCCCc1cc(C(=O)OCC)c(N)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.69
MAPK1 P28482 1/20 0.69
ALDH1A1 P00352 7/20 0.51
HSD17B10 Q99714 6/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALOX15 P16050 3/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 4/20 0.46
NOD2 Q9HC29 1/20 0.46
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
REV1 Q9UBZ9 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL3107873 1.00 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL1976156 1.00 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL1976632 1.00 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL15277871 1.00 GAA (0.69) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3113249 0.99 GAA (0.71) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL23827481 0.89 GAA (0.56) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL810348 0.88 GAA (0.77) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3108312 0.87 GAA (0.63) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL3103464 0.84 GAA (0.66) GAAMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL6030472 0.84 ALOX15 (0.49) 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 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 1319/4885ALDH1A1 834/4885
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885MAPK1 1882/4885ALDH1A1 266/4885

“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.