SCHEMBL3400531

SCHEMBL3400531

COC(=O)c1sc(N)nc1-c1nccn1COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.39
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
DGAT1 O75907 4/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3405279 0.89 DGAT1 (0.38) ALDH1A1HSD17B10DGAT1KDM4EHPGD
SCHEMBL3401320 0.86 ALDH1A1 (0.42) FBP1ALDH1A1HSD17B10KDM4EPKM
SCHEMBL509029 0.82 FBP1 (0.42) FBP1ALDH1A1HSD17B10KDM4EPKM
SCHEMBL1554027 0.77 ALDH1A1 (0.42) FBP1ALDH1A1HSD17B10KDM4EPKM
SCHEMBL5661987 0.76 DGAT1 (0.36) DGAT1
SCHEMBL7836831 0.75 MAPT (0.41) ALDH1A1HSD17B10DGAT1KDM4EGAA
SCHEMBL3405599 0.75 HSP90B1 (0.38) ALDH1A1GAA
SCHEMBL403488 0.74 ALDH1A1 (0.52) FBP1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL29152841 0.73 KDM4E (0.39) ALDH1A1HSD17B10DGAT1KDM4EPKM
SCHEMBL9638271 0.73 DGAT1 (0.41) ALDH1A1DGAT1

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
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 EP 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

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-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.