SCHEMBL1137355

SCHEMBL1137355

COC(=O)COc1cccc(OCC(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 7/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.43
ITGA4 P13612 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30596982 0.91 KMT2A (0.47) PTGS2KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL26110946 0.91 KMT2A (0.47) PTGS2KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL13401067 0.90 PTGS2 (0.44) PTGS2KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6843426 0.83 PTGS2 (0.51) PTGS2KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL30597073 0.83 ALDH1A1 (0.68) KMT2AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL12309435 0.83 ALDH1A1 (0.68) KMT2AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL1706850 0.82 ALDH1A1 (0.52) KMT2AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL30114661 0.80 ALDH1A1 (0.52) KMT2AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL28625932 0.80 ALDH1A1 (0.52) KMT2AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL7999911 0.79 ALDH1A1 (0.49) PTGS2KMT2AALDH1A1HTTSMN1; SMN2

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 PTGS2 3/4885KMT2A 3045/4885ALDH1A1 903/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 PTGS2 3/4885KMT2A 3045/4885ALDH1A1 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.