SCHEMBL1137699

SCHEMBL1137699

Cn1ccc2c(Oc3ccc(Cl)c(F)c3)cccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.59
HTR2A P28223 7/20 0.48
SLC6A4 P31645 7/20 0.48
KCNH2 Q12809 7/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGER3 P43115 4/20 0.43
PTGER4 P35408 3/20 0.43
PTGFR P43088 3/20 0.43
PTGER2 P43116 3/20 0.43
PTGER1 P34995 2/20 0.43
BRD4 O60885 2/20 0.40
HSD11B1 P28845 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
SCHEMBL1137747 0.89 RHEB (0.59) RHEBHTR2ASLC6A4KCNH2PTGER3
SCHEMBL1138270 0.87 RHEB (0.52) RHEBHTR2ASLC6A4KCNH2HSD11B1
SCHEMBL1138102 0.87 RHEB (0.64) RHEBHTR2ASLC6A4ALDH1A1MAPT
SCHEMBL23709588 0.81 RHEB (0.67) RHEBSLC6A4ALDH1A1MAPTHPGD
SCHEMBL23709542 0.80 RHEB (0.60) RHEBHTR2ASLC6A4KCNH2CYP1A2
SCHEMBL23709599 0.80 RHEB (0.61) RHEBHTR2ASLC6A4ALDH1A1MAPT
SCHEMBL1137574 0.80 RHEB (0.56) RHEBHTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL1137495 0.78 RHEB (0.62) RHEBSLC6A4ALDH1A1MAPTPTGER3
SCHEMBL1137550 0.77 RHEB (0.57) RHEBALDH1A1CYP1A2MAPTPTGER3
SCHEMBL1137690 0.77 PTGER3 (0.61) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9

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-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 WO disclosed
WO-2006044415-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS, INC. (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 4081/4885HTR2A 1616/4885SLC6A4 2170/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 RHEB 4081/4885HTR2A 1616/4885SLC6A4 2170/4885
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR RHEB 3142/4885HTR2A 1968/4885SLC6A4 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.