SCHEMBL3401020

SCHEMBL3401020

CCOC(=O)CC(=O)c1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.64
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
HPGD P15428 1/20 0.56
MAPT P10636 5/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MCL1 Q07820 1/20 0.51
GLO1 Q04760 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 2/20 0.50

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
SCHEMBL211598 0.82 ALDH1A1 (0.69) MAPK1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL23617613 0.81 NPC1 (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL6090647 0.81 MAPT (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL6647582 0.81 RAB9A (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL10009486 0.80 MAPT (0.63) MAPK1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL20486516 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL12548965 0.78 NPC1 (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL29647831 0.77 MAPT (0.75) MAPK1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3100413 0.77 MAPT (0.75) MAPK1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2543169 0.77 MAPK1 (0.70) MAPK1ALDH1A1SMN1; SMN2RAB9ANPC1

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-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 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 MAPK1 1950/4885ALDH1A1 243/4885SMN1; SMN2 2282/4885

“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.