SCHEMBL876698

SCHEMBL876698

Cn1nc(C(F)F)c(C(=O)O)c1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.70
PTGER2 P43116 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.42
PPARG P37231 5/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL876034 0.86 PTGER4 (0.54) PTGER4PTGER2SMN1; SMN2MAPTKDM4E
SCHEMBL15239116 0.85 PTGER4 (0.69) PTGER4PTGER2SMN1; SMN2MAPTLMNA
SCHEMBL875993 0.85 PTGER4 (0.71) PTGER4PTGER2SMN1; SMN2MAPTLMNA
SCHEMBL9545283 0.85 PTGER4 (0.66) PTGER4PTGER2SMN1; SMN2POLBMAPT
SCHEMBL876555 0.85 PTGER4 (0.68) PTGER4PTGER2SMN1; SMN2POLBMAPT
SCHEMBL24861763 0.85 PTGER4 (0.80) PTGER4PTGER2SMN1; SMN2POLBLMNA
SCHEMBL26422135 0.85 PTGER4 (0.80) PTGER4PTGER2SMN1; SMN2POLBLMNA
SCHEMBL876516 0.84 PTGER4 (0.69) PTGER4PTGER2MAPTPPARGLMNA
SCHEMBL30331185 0.84 PTGER4 (0.62) PTGER4PTGER2SMN1; SMN2POLBMAPT
SCHEMBL24861953 0.84 PTGER4 (0.62) PTGER4PTGER2SMN1; SMN2POLBMAPT

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 7 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-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
EP-2619182-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2013-07-31 EP 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 131/4885SMN1; SMN2 2710/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885PTGER2 131/4885SMN1; SMN2 2710/4885

“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.