SCHEMBL181201

SCHEMBL181201

Fc1ccc(Br)cc1Cc1ccc(OC2COC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
SLC5A2 P31639 8/20 0.37
CCR5 P51681 2/20 0.35
SLC5A1 P13866 4/20 0.35
ACACB O00763 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.33
FFAR1 O14842 1/20 0.31

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
SCHEMBL181117 0.90 SLC5A2 (0.45) SLC5A2CCR5SLC5A1ACACBSLC6A4
SCHEMBL181205 0.84 SLC5A2 (0.48) SLC5A2SLC5A1SLC6A4
SCHEMBL181059 0.76 L3MBTL1 (0.45)
SCHEMBL2638119 0.75 SLC5A2 (0.59) SLC5A2SLC5A1SLC6A4
SCHEMBL29740488 0.75 SLC5A2 (0.59) SLC5A2SLC5A1SLC6A4
SCHEMBL24989748 0.75 SLC5A2 (0.46) SLC5A2SLC5A1ACACBHRH1
SCHEMBL2638121 0.75 SLC5A2 (0.59) SLC5A2SLC5A1SLC6A4
SCHEMBL29882671 0.75 SLC5A2 (0.59) SLC5A2SLC5A1SLC6A4
SCHEMBL30476132 0.75 SLC5A2 (0.46) SLC5A2SLC5A1ACACBHRH1
SCHEMBL2870718 0.75 SLC5A2 (0.59) SLC5A2SLC5A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334687-B9 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-08-08 EP disclosed
EP-2334687-B1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-01-04 EP disclosed
US-8080580-B2 Dioxa-bicyclo[3.2.1]octane-2,3,4-triol derivatives PFIZER INC. (US) 2011-12-20 US disclosed
EP-2334687-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2011-06-22 EP disclosed
WO-2010023594-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC. (US) 2010-03-04 WO disclosed
US-20100056618-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER INC 2010-03-04 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-20100056618-A1 DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES SLC5A2, SLC5A1, SLC2A2 CACNA1G 656/4885CACNA1H 797/4885CACNA1I 606/4885

“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.