SCHEMBL4160799

SCHEMBL4160799

CC(C)c1cc2cc(S(C)(=O)=O)cc(CO)c2o1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.36
PTGER3 P43115 1/20 0.36
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
LARS1 Q9P2J5 1/20 0.30

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
SCHEMBL4658936 0.81 PTGER1 (0.31) PTGER1PTGER3
SCHEMBL13873909 0.75 PTGER1 (0.36) PTGER1PTGER3
SCHEMBL13873908 0.75 PTGER1 (0.52) PTGER1PTGER3
SCHEMBL4157602 0.73 KDM4E (0.36) AKR1C3AKR1C2PTGS2
SCHEMBL4658942 0.73 ALPL (0.34)
SCHEMBL4157349 0.72 PTGER1 (0.34) PTGER1PTGER3
SCHEMBL4160811 0.65 PTGER1 (0.30) PTGER1PTGER3
SCHEMBL21437678 0.63 CHRM2 (0.48) PTGER1PTGER3
SCHEMBL13039947 0.62 CYP2D6 (0.47) PTGER1PTGER3AKR1C3
SCHEMBL17180008 0.60 PKM (0.50) PTGS2

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
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
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 PTGER1 1/4885PTGER3 3/4885AKR1C3 668/4885

“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.