SCHEMBL1137809

SCHEMBL1137809

O=C(O)COc1cccc2ccc(=O)n(Cc3ccc4ccccc4c3)c12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.64
PTPN7 P35236 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLA2G1B P04054 3/20 0.46
HTR6 P50406 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CCR2 P41597 1/20 0.41
PLA2G2A P14555 3/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1137502 0.89 PTGER3 (0.62) PTGER3KDM4EHTR6KMT2AMEN1
SCHEMBL1140151 0.82 PTGER3 (0.51) PTGER3PTPN7PTGDR2
SCHEMBL1137416 0.82 PTGER3 (0.47) PTGER3PTPN7ALDH1A1KDM4EHPGD
SCHEMBL9950748 0.77 PTGER3 (0.45) PTGER3ALDH1A1HPGDTDP1HTR6
SCHEMBL1137884 0.77 PTPN7 (0.46) PTGER3PTPN7ALDH1A1KDM4EHPGD
SCHEMBL4225409 0.75 PTGER3 (0.49) PTGER3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7964646 0.75 PLA2G2A (0.52) PLA2G1BPLA2G2A
SCHEMBL18231259 0.73 TLR7 (0.44) PTGER3ALDH1A1TDP1HTR6KMT2A
SCHEMBL1139892 0.73 PLA2G1B (0.43) PTGER3PTPN7ALDH1A1KDM4EHPGD
SCHEMBL13484787 0.72 PLA2G2A (0.80) PLA2G1BPLA2G2A

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-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP 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
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 (2 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 PTGER3 19/4885PTPN7 4425/4885ALDH1A1 903/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 PTGER3 19/4885PTPN7 4425/4885ALDH1A1 903/4885

“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.