SCHEMBL1137459

SCHEMBL1137459

Cn1ccc2c(Oc3ccc(F)cc3F)cccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.75
TRPA1 O75762 4/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
HSPB1 P04792 1/20 0.41
BRD4 O60885 7/20 0.40
PTGER3 P43115 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 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
SCHEMBL1138070 0.87 RHEB (0.69) RHEBTRPA1ALDH1A1HTTPTGER3
SCHEMBL23709824 0.86 RHEB (1.00) RHEBALDH1A1HTTTUBB4ATUBB
SCHEMBL1137495 0.85 RHEB (0.62) RHEBTRPA1ALDH1A1HTTBRD4
SCHEMBL7964114 0.83 RHEB (0.77) RHEBALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL23709599 0.82 RHEB (0.61) RHEBALDH1A1BRD4TUBB4ATUBB
SCHEMBL23709588 0.80 RHEB (0.67) RHEBALDH1A1HTTTUBB4ATUBB
SCHEMBL1138102 0.78 RHEB (0.64) RHEBALDH1A1BRD4PTGER3TUBB4A
SCHEMBL1138637 0.75 RHEB (0.56) RHEB
SCHEMBL1137699 0.74 RHEB (0.59) RHEBALDH1A1BRD4PTGER3
SCHEMBL1137747 0.74 RHEB (0.59) RHEBPTGER3

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 10 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-1814881-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics, Inc. (US) 2007-08-08 EP 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-2006044415-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS, INC. (US) 2006-04-27 WO 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 4081/4885TRPA1 826/4885ALDH1A1 903/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 RHEB 4081/4885TRPA1 826/4885ALDH1A1 903/4885
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR RHEB 3142/4885TRPA1 1885/4885ALDH1A1 265/4885

“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.