SCHEMBL877275

SCHEMBL877275

Cc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
GPBAR1 Q8TDU6 11/20 0.54
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER4 P35408 2/20 0.39
PPARG P37231 1/20 0.38
REN P00797 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 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
SCHEMBL876600 0.82 KDM4E (0.57) KDM4EMAPTGPBAR1CYP1A2CYP3A4
SCHEMBL881379 0.81 PTGER4 (0.66) GPBAR1PTGER4
SCHEMBL876477 0.80 KDM4E (0.61) KDM4EMAPTGPBAR1
SCHEMBL877251 0.79 KDM4E (0.75) KDM4EMAPTGPBAR1CYP1A2CYP3A4
SCHEMBL876596 0.78 KDM4E (0.58) KDM4EMAPTGPBAR1CYP1A2CYP3A4
SCHEMBL877302 0.78 KDM4E (0.58) KDM4EMAPTGPBAR1CYP1A2CYP3A4
SCHEMBL15249961 0.77 PTGER4 (0.57) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL876663 0.77 KDM4E (0.61) KDM4EMAPTGPBAR1CYP1A2CYP3A4
SCHEMBL875886 0.75 KDM4E (0.70) KDM4EMAPTGPBAR1CYP1A2CYP3A4
SCHEMBL876906 0.74 KDM4E (0.64) KDM4EMAPTGPBAR1CYP1A2CYP3A4

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 KDM4E 3744/4885MAPT 1260/4885GPBAR1 93/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 KDM4E 3744/4885MAPT 1260/4885GPBAR1 93/4885

“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.