SCHEMBL876431

SCHEMBL876431

Cn1nc(C(F)F)c(C(=O)O)c1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
PTGER2 P43116 1/20 0.46
KMO O15229 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 1/20 0.37
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RPA1 P27694 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL876398 0.86 KDM4E (0.68) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL876516 0.85 PTGER4 (0.69) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL877203 0.83 MAPT (0.74) PTGER4KDM4EMAPTKMOCYP1A2
SCHEMBL881241 0.82 PTGER4 (0.79) PTGER4PTGER2CYP1A2CYP2C9CYP2C19
SCHEMBL877289 0.81 PTGER4 (0.68) PTGER4KDM4EMAPTPTGER2KMO
SCHEMBL875993 0.81 PTGER4 (0.71) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL15239116 0.81 PTGER4 (0.69) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL24861951 0.81 PTGER4 (0.52) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL24861957 0.81 PTGER4 (0.48) PTGER4KDM4EMAPTPTGER2CYP1A2
SCHEMBL881382 0.80 PTGER4 (0.73) PTGER4KDM4EMAPTPTGER2KMO

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.