SCHEMBL4123548

SCHEMBL4123548

O=C(O)c1sc(CCCN2C(=O)OCC[C@@H]2CC[C@@H](O)C(F)(F)c2cccc(Br)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.43
▸ PTGER3 P43115 3/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER2 P43116 3/20 0.34

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
SCHEMBL4794559 0.89 PTGER4 (0.55) PTGER4PTGER3PTGER1PTGER2
SCHEMBL4118452 0.89 PTGER4 (0.55) PTGER4PTGER3PTGER1PTGER2
SCHEMBL4277661 0.89 PTGER4 (0.55) PTGER4PTGER3PTGER1PTGER2
SCHEMBL3982417 0.84 PTGER4 (0.43) PTGER4PTGER3PTGER1PTGER2
SCHEMBL4110850 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL4110843 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL4309176 0.83 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL4112956 0.82 PTGER4 (0.46) PTGER4PTGER3PTGER1PTGER2
SCHEMBL4304517 0.82 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2
SCHEMBL4099885 0.82 PTGER4 (0.45) PTGER4PTGER3PTGER1PTGER2

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-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 — — US claimed
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 — — EP claimed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO claimed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 — — US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 — — US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 — — 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 (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-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGER3 3/4885PTGER1 2/4885

“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.

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