SCHEMBL881393

SCHEMBL881393

Cc1nn(C)c(Oc2ccc(F)c(F)c2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 15/20 0.72
▸ PTGER2 P43116 5/20 0.58
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PHGDH O43175 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL15249968 0.93 PTGER4 (0.62) PTGER4PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL26416612 0.91 PTGER4 (0.68) PTGER4PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL881184 0.89 PTGER4 (0.70) PTGER4PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL15249899 0.88 PTGER4 (0.79) PTGER4PTGER2PHGDH
SCHEMBL881498 0.88 PTGER4 (0.68) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL881500 0.88 PTGER4 (0.56) PTGER4PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL881397 0.88 PTGER4 (0.79) PTGER4PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL15249912 0.87 PTGER4 (0.67) PTGER4PTGER2CYP1A2CYP3A4CYP2C9
SCHEMBL881499 0.87 PTGER4 (0.69) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL10122334 0.87 PTGER4 (0.77) PTGER4PTGER2CYP1A2CYP2C9CYP2C19

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 131/4885CYP1A2 22/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885PTGER2 131/4885CYP1A2 22/4885

“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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