SCHEMBL881382

SCHEMBL881382

Cn1nc(C(F)F)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.73
PTGER2 P43116 2/20 0.49
AKT1 P31749 2/20 0.39
PHGDH O43175 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PDE2A O00408 1/20 0.35
KMO O15229 1/20 0.35
PTGDR Q13258 1/20 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
SCHEMBL15250001 0.93 PTGER4 (0.64) PTGER4PTGER2AKT1PDE2A
SCHEMBL15249919 0.91 PTGER4 (0.71) PTGER4PTGER2KDM4EMAPTPDE2A
SCHEMBL881244 0.89 PTGER4 (0.79) PTGER4PTGER2KDM4EMAPT
SCHEMBL881197 0.86 PTGER4 (0.76) PTGER4PTGER2AKT1PHGDHPTGDR
SCHEMBL15249918 0.85 PTGER4 (0.82) PTGER4PTGER2PTGDR
SCHEMBL10122400 0.84 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL15250016 0.83 PTGER4 (0.62) PTGER4PTGER2KDM4EMAPTPDE2A
SCHEMBL15250000 0.82 PTGER4 (0.69) PTGER4PTGER2PDE2A
SCHEMBL881241 0.82 PTGER4 (0.79) PTGER4PTGER2PHGDH
SCHEMBL24861752 0.81 PTGER4 (0.94) PTGER4PTGER2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
EP-3061751-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2016-08-31 EP disclosed
US-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US disclosed
US-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US disclosed
US-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 US disclosed
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 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 (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-20140155452-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885PTGER2 131/4885AKT1 3746/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885PTGER2 131/4885AKT1 3746/4885

“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.