SCHEMBL876193

SCHEMBL876193

Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTGER4 P35408 6/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 1/20 0.43
PTGER2 P43116 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FLT3 P36888 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
SCHEMBL876577 0.88 MAPT (0.68) MAPTKDM4EPTGER4MEN1KMT2A
SCHEMBL876223 0.87 KDM4E (0.70) MAPTKDM4EPTGER4KMT2APTGER2
SCHEMBL9545283 0.85 PTGER4 (0.66) MAPTKDM4EPTGER4NPSR1LMNA
SCHEMBL876034 0.84 PTGER4 (0.54) MAPTKDM4EPTGER4MEN1KMT2A
SCHEMBL876022 0.84 LMNA (0.52) MAPTKDM4EPTGER4NPSR1LMNA
SCHEMBL877289 0.83 PTGER4 (0.68) MAPTKDM4EPTGER4MEN1KMT2A
SCHEMBL881502 0.80 PTGER4 (0.77) PTGER4PTGER2
SCHEMBL876923 0.80 LMNA (0.59) MAPTKDM4EPTGER4KMT2ANPSR1
SCHEMBL876769 0.79 LMNA (0.66) MAPTKDM4EPTGER4MEN1KMT2A
SCHEMBL881216 0.79 PTGER4 (0.81) 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 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 MAPT 1260/4885KDM4E 3744/4885PTGER4 147/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 MAPT 1260/4885KDM4E 3744/4885PTGER4 147/4885

“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.