SCHEMBL4157602

SCHEMBL4157602

COC(=O)c1cc(S(C)(=O)=O)cc2cc(C(C)C)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SDHB P21912 1/20 0.36
ESR2 Q92731 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 5/20 0.33
YAP1 P46937 1/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL4159078 0.79 MAOB (0.45) KDM4EALDH1A1HPGDESR2HSD17B10
SCHEMBL4166623 0.79 PTGER1 (0.43) ALDH1A1HPGDESR2HSD17B10MAOA
SCHEMBL3212340 0.77 PTGS2 (0.44) KDM4EALDH1A1HPGDSDHBESR2
SCHEMBL4171757 0.76 LMNA (0.40) KDM4EALDH1A1HPGDESR2HSD17B10
SCHEMBL14397250 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CA2
SCHEMBL4160799 0.73 PTGER1 (0.36) AKR1C3AKR1C2PTGS2
SCHEMBL4658936 0.72 PTGER1 (0.31)
SCHEMBL4658942 0.70 ALPL (0.34)
SCHEMBL29784443 0.69 MAPT (0.39) KDM4EALDH1A1HPGDESR2MAOA
SCHEMBL29784536 0.69 ERAP1 (0.40) KDM4EALDH1A1HPGDESR2SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2001872-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO 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 (1 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-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists PTGER1, PTGER2, PTGER3 KDM4E 2495/4885ALDH1A1 337/4885HPGD 827/4885

“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.