SCHEMBL1767709

SCHEMBL1767709

CCCC[Sn](CCCC)(CCCC)c1ccc(OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 4/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
PARP10 Q53GL7 1/20 0.39
RELA Q04206 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39

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
SCHEMBL2422330 0.84 LTA4H (0.37) NQO1TSHRLTA4HRAB9ACA12
SCHEMBL2115755 0.84 LTA4H (0.44) TSHRSMN1; SMN2LTA4HNPC1RAB9A
SCHEMBL1983658 0.83 TSHR (0.32) TSHRMAPT
SCHEMBL1097013 0.82 CA1 (0.44) TDP1MAPTCA12CA1CA2
SCHEMBL1919533 0.82 LTA4H (0.43) TSHRKDM4ELTA4HRAB9ACA12
SCHEMBL7058830 0.80 LMNA (0.50) SMN1; SMN2LTA4HL3MBTL1MAPTRAB9A
SCHEMBL6288626 0.80 PLA2G4B (0.50) TSHRALDH1A1SMN1; SMN2
SCHEMBL4769134 0.80 GAA (0.55) KDM4EALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL30592117 0.79 NR5A1 (0.50) TSHRLTA4HNPC1MAPTRAB9A
SCHEMBL7862872 0.78 LTA4H (0.31) LTA4HNR5A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439902-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9439901-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-09-13 US disclosed
US-9308204-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2016-04-12 US disclosed
US-20150065565-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20150065513-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
US-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2015-03-05 US disclosed
EP-2496583-B1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2014-12-10 EP disclosed
US-8669380-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2014-03-11 US disclosed
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2013-08-29 US disclosed
EP-2496583-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2012-09-12 EP disclosed
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. 2012-07-19 US disclosed
WO-2011051864-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2011-05-05 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 (5 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-20150065512-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 NQO1 2731/4885TSHR 2426/4885TDP1 2673/4885
US-20120184486-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 NQO1 2731/4885TSHR 2426/4885TDP1 2673/4885
US-20150065565-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 NQO1 2731/4885TSHR 2426/4885TDP1 2673/4885
US-20130225487-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 NQO1 2731/4885TSHR 2426/4885TDP1 2673/4885
US-20150065513-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 NQO1 2731/4885TSHR 2426/4885TDP1 2673/4885

“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.