SCHEMBL1138070

SCHEMBL1138070

Cn1ccc2c(Oc3ccc(Cl)cc3F)cccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.69
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
KCNH2 Q12809 1/20 0.51
SLC6A3 Q01959 1/20 0.48
TPH1 P17752 1/20 0.44
PTGER3 P43115 4/20 0.43
PTGFR P43088 3/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
TRPA1 O75762 1/20 0.39
MET P08581 2/20 0.39
HSD11B1 P28845 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL1137459 0.87 RHEB (0.75) RHEBPTGER3ALDH1A1HTTTRPA1
SCHEMBL1138637 0.86 RHEB (0.56) RHEBSLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL23709824 0.82 RHEB (1.00) RHEBSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1137495 0.82 RHEB (0.62) RHEBSLC6A2SLC6A4SLC6A3PTGER3
SCHEMBL7964114 0.80 RHEB (0.77) RHEBALDH1A1HSD11B1TUBB4ATUBB
SCHEMBL1137747 0.80 RHEB (0.59) RHEBSLC6A4KCNH2PTGER3PTGFR
SCHEMBL23709542 0.78 RHEB (0.60) RHEBSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5497887 0.78 RHEB (0.51) RHEBSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1137574 0.78 RHEB (0.56) RHEBSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1138102 0.77 RHEB (0.64) RHEBSLC6A4PTGER3PTGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP disclosed
US-7714017-B2 for prostaglandin-mediated disorders; (E)-3-[1-(2,4-Dichloro-benzyl)-3,3-bis-hydroxymethyl-2-oxo-2,3-dihydro-1H-indol-7-yl]-acrylic acid DECODE GENETICS, EHF (IS) 2010-05-11 US disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
EP-1812388-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics (US) 2007-08-01 EP disclosed
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY, INC. (US) 2006-06-29 US disclosed
WO-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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 (3 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 RHEB 4081/4885SLC6A2 2715/4885SLC6A4 2170/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 RHEB 4081/4885SLC6A2 2715/4885SLC6A4 2170/4885
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR RHEB 3142/4885SLC6A2 3394/4885SLC6A4 3218/4885

“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.