SCHEMBL876601

SCHEMBL876601

Cc1nn(C)c(Oc2cccc(OC(F)(F)F)c2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
PTGER4 P35408 8/20 0.52
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PTGER2 P43116 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 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
SCHEMBL876199 0.87 KDM4E (0.58) KDM4EMAPTPTGER4POLBCYP1A2
SCHEMBL876555 0.86 PTGER4 (0.68) KDM4EMAPTPTGER4POLBPPARG
SCHEMBL876663 0.84 KDM4E (0.61) KDM4EMAPTPTGER4POLBPPARG
SCHEMBL876906 0.84 KDM4E (0.64) KDM4EMAPTPTGER4POLBCYP1A2
SCHEMBL881217 0.82 PTGER4 (0.81) PTGER4PTGER2
SCHEMBL876428 0.81 KDM4E (0.72) KDM4EMAPTPTGER4PPARGCYP1A2
SCHEMBL876593 0.81 PTGER4 (0.60) KDM4EMAPTPTGER4POLBCYP1A2
SCHEMBL26416648 0.80 KDM4E (0.58) KDM4EMAPTPTGER4CYP1A2CYP2C9
SCHEMBL15249979 0.78 PTGER4 (0.70) PTGER4PTGER2
SCHEMBL875886 0.78 KDM4E (0.70) KDM4EMAPTPTGER4POLBPPARG

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