SCHEMBL881504

SCHEMBL881504

Cn1nc(C(F)(F)F)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Oc1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.74
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR Q13258 2/20 0.42
PTGER2 P43116 3/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
SLC6A9 P48067 1/20 0.38

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
SCHEMBL15250013 0.93 PTGER4 (0.64) PTGER4KDM4EMAPTLMNANPSR1
SCHEMBL881216 0.92 PTGER4 (0.81) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL881197 0.91 PTGER4 (0.76) PTGER4LMNANPSR1PTGDRPTGER2
SCHEMBL15249882 0.90 PTGER4 (0.83) PTGER4LMNANPSR1PTGDRPTGER2
SCHEMBL881421 0.89 PTGER4 (0.74) PTGER4KDM4EMAPTLMNANPSR1
SCHEMBL15249919 0.86 PTGER4 (0.71) PTGER4KDM4EMAPTPTGDRPTGER2
SCHEMBL10122339 0.85 PTGER4 (1.00) PTGER4LMNANPSR1PTGDRPTGER2
SCHEMBL15250014 0.85 PTGER4 (0.70) PTGER4LMNANPSR1PTGDRPTGER2
SCHEMBL15250003 0.83 PTGER4 (0.66) PTGER4LMNANPSR1PTGDRCYP1A2
SCHEMBL15249970 0.83 PTGER4 (0.72) PTGER4LMNANPSR1PTGDRPTGER2

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 147/4885KDM4E 3744/4885MAPT 1260/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885KDM4E 3744/4885MAPT 1260/4885

“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.