SCHEMBL876923

SCHEMBL876923

Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
PTGER4 P35408 9/20 0.53
PTGER2 P43116 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL9545283 0.88 PTGER4 (0.66) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL876769 0.87 LMNA (0.66) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL15238615 0.86 PTGER4 (0.54) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL876384 0.85 PTGER4 (0.57) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL876022 0.84 LMNA (0.52) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL876663 0.84 KDM4E (0.61) LMNANPSR1PTGER4KDM4EMAPT
SCHEMBL15249905 0.82 PTGER4 (0.75) LMNANPSR1PTGER4PTGER2
SCHEMBL31019695 0.81 PTGER4 (0.58) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL877289 0.81 PTGER4 (0.68) LMNANPSR1PTGER4PTGER2SMN1; SMN2
SCHEMBL31019720 0.81 PTGER4 (0.58) LMNANPSR1PTGER4PTGER2SMN1; SMN2

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 LMNA 2386/4885NPSR1 807/4885PTGER4 147/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 LMNA 2386/4885NPSR1 807/4885PTGER4 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.