SCHEMBL3401320

SCHEMBL3401320

COCn1ccnc1-c1nc(N)sc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 3/20 0.42
FBP1 P09467 1/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL509029 0.88 FBP1 (0.42) ALDH1A1HSD17B10FBP1POLBL3MBTL1
SCHEMBL3400531 0.86 FBP1 (0.39) ALDH1A1HSD17B10FBP1GAAMAPK1
SCHEMBL3405599 0.86 HSP90B1 (0.38) ALDH1A1GAA
SCHEMBL1554027 0.83 ALDH1A1 (0.42) ALDH1A1HSD17B10FBP1POLBGAA
SCHEMBL403488 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10FBP1POLBGAA
SCHEMBL3405279 0.73 DGAT1 (0.38) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL404952 0.73 ALDH1A1 (0.58) ALDH1A1HSD17B10FBP1GAACYP1A2
SCHEMBL509688 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10FBP1POLBGAA
SCHEMBL4670943 0.72 SMN1; SMN2 (0.37) ALDH1A1CYP1A2PKMSMN1; SMN2
SCHEMBL13070796 0.70 ALDH1A1 (0.40) ALDH1A1POLBGAAKDM4EHPGD

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 9 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-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 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
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS ALDH1A1 1828/4885HSD17B10 3158/4885FBP1 1324/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR ALDH1A1 243/4885HSD17B10 4653/4885FBP1 1677/4885

“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.