SCHEMBL509029

SCHEMBL509029

COCCn1ccnc1-c1nc(N)sc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.42
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
XIAP P98170 1/20 0.36
KMT2A Q03164 1/20 0.36
PLEC Q15149 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL403488 0.91 ALDH1A1 (0.52) FBP1ALDH1A1HSD17B10GAAPOLB
SCHEMBL3401320 0.88 ALDH1A1 (0.42) FBP1ALDH1A1HSD17B10GAAMAPK1
SCHEMBL403438 0.86 HSP90AA1 (0.37) ALDH1A1HSD17B10GAAPOLBKDM4E
SCHEMBL1554027 0.83 ALDH1A1 (0.42) FBP1ALDH1A1HSD17B10GAAMAPK1
SCHEMBL3400531 0.82 FBP1 (0.39) FBP1ALDH1A1HSD17B10GAAMAPK1
SCHEMBL13070796 0.81 ALDH1A1 (0.40) ALDH1A1GAAPOLBKDM4EHPGD
SCHEMBL27843585 0.81 MEN1 (0.46) ALDH1A1POLBKDM4EMEN1MAPT
SCHEMBL27843584 0.81 ESR1 (0.31) FBP1ALDH1A1HSD17B10GAAPOLB
SCHEMBL13329801 0.76 PIN1 (0.40) ALDH1A1HSD17B10MAPK1KDM4EHPGD
SCHEMBL3405599 0.74 HSP90B1 (0.38) ALDH1A1GAAMEN1THRBKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
CN-101627038-A Antibacterial polycyclic urea compounds ASTRAZENECA AB 2010-01-13 CN disclosed
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US 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 (3 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR FBP1 1952/4885ALDH1A1 119/4885HSD17B10 2750/4885
US-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 FBP1 698/4885ALDH1A1 488/4885HSD17B10 1330/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR FBP1 1677/4885ALDH1A1 243/4885HSD17B10 4653/4885

“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.