SCHEMBL876593

SCHEMBL876593

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.60
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.57
PTGER2 P43116 1/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PTGS1 P23219 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
GPBAR1 Q8TDU6 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
SCHEMBL26416648 0.92 KDM4E (0.58) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL875993 0.88 PTGER4 (0.71) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL876199 0.87 KDM4E (0.58) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL876384 0.85 PTGER4 (0.57) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL876663 0.84 KDM4E (0.61) PTGER4KDM4EMAPTCYP1A2CYP2C9
SCHEMBL881194 0.84 PTGER4 (0.83) PTGER4PTGER2
SCHEMBL26418788 0.84 PTGER4 (0.66) PTGER4KDM4EMAPTPTGER2PTGS1
SCHEMBL876906 0.84 KDM4E (0.64) PTGER4KDM4EMAPTCYP1A2CYP2C9
SCHEMBL876428 0.81 KDM4E (0.72) PTGER4KDM4EMAPTCYP1A2CYP2C9
SCHEMBL876601 0.81 KDM4E (0.57) PTGER4KDM4EMAPTPTGER2CYP1A2

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

“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.