SCHEMBL9545283

SCHEMBL9545283

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.66
PTGER2 P43116 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
ATM Q13315 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.45
PPARG P37231 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARA Q07869 2/20 0.42

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
SCHEMBL31019695 0.93 PTGER4 (0.58) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL31019720 0.92 PTGER4 (0.58) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL876555 0.88 PTGER4 (0.68) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL876923 0.88 LMNA (0.59) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL876769 0.87 LMNA (0.66) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL15238615 0.86 PTGER4 (0.54) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL876698 0.85 PTGER4 (0.70) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL876384 0.85 PTGER4 (0.57) PTGER4PTGER2SMN1; SMN2POLBNPSR1
SCHEMBL876193 0.85 MAPT (0.52) PTGER4PTGER2SMN1; SMN2NPSR1LMNA
SCHEMBL31019691 0.84 PTGER4 (0.56) PTGER4PTGER2SMN1; SMN2POLBNPSR1

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 6 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
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 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 147/4885PTGER2 131/4885SMN1; SMN2 2710/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 PTGER4 147/4885PTGER2 131/4885SMN1; SMN2 2710/4885

“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.