SCHEMBL876577

SCHEMBL876577

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
KDM4E B2RXH2 1/20 0.68
PTGER4 P35408 2/20 0.52
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CYP2D6 P10635 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DYRK3 O43781 1/20 0.40
PIM1 P11309 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
SCHEMBL876193 0.88 MAPT (0.52) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL877289 0.86 PTGER4 (0.68) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL876769 0.85 LMNA (0.66) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL876022 0.85 LMNA (0.52) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL876054 0.81 KDM4E (1.00) MAPTKDM4ELMNACYP1A2CYP2C19
SCHEMBL881200 0.81 PTGER4 (0.82) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL876398 0.80 KDM4E (0.68) MAPTKDM4EPTGER4LMNACYP1A2
SCHEMBL881504 0.79 PTGER4 (0.74) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL876923 0.79 LMNA (0.59) MAPTKDM4EPTGER4LMNANPSR1
SCHEMBL9545283 0.79 PTGER4 (0.66) MAPTKDM4EPTGER4LMNANPSR1

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
CN-103097358-B Pharmaceutical composition EISAI R&D MAN CO LTD 2015-04-08 CN 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
CN-103097358-A Pharmaceutical composition EISAI R&D MAN CO LTD 2013-05-08 CN 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.