SCHEMBL10122170

SCHEMBL10122170

C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.81
PTGER2 P43116 2/20 0.81
NR1H4 Q96RI1 1/20 0.45
PTGER3 P43115 1/20 0.44

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
SCHEMBL24861824 0.94 PTGER4 (0.74) PTGER4PTGER2NR1H4
SCHEMBL24861783 0.94 PTGER4 (0.74) PTGER4PTGER2NR1H4
SCHEMBL28701981 0.90 PTGER4 (0.77) PTGER4PTGER2NR1H4
SCHEMBL28701983 0.90 PTGER4 (0.77) PTGER4PTGER2NR1H4
Palupiprant SCHEMBL881212 0.90 PTGER4 (1.00) PTGER4PTGER2
Palupiprant SCHEMBL29517740 0.90 PTGER4 (1.00) PTGER4PTGER2
Palupiprant SCHEMBL20563735 0.90 PTGER4 (1.00) PTGER4PTGER2
Palupiprant SCHEMBL881413 0.90 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL881387 0.89 PTGER4 (0.80) PTGER4PTGER2
SCHEMBL10122169 0.89 PTGER4 (0.80) PTGER4PTGER2NR1H4

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 131/4885NR1H4 168/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885PTGER2 131/4885NR1H4 168/4885

“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.