SCHEMBL5775415

SCHEMBL5775415

O=C(CCc1cnoc1-c1ccc(F)c(Cl)c1)N1CC[C@H](NC(=O)C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
GRIN2B Q13224 7/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GRIN1 Q05586 1/20 0.36
C3AR1 Q16581 4/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
S100A4 P26447 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL5774144 0.89 ENPP2 (0.42) ENPP2GRIN2BGRIN1C3AR1
SCHEMBL5772098 0.88 KDM4E (0.38) ENPP2GRIN2BC3AR1GFER
SCHEMBL5770782 0.85 ENPP2 (0.36) ENPP2C3AR1GFER
SCHEMBL5773845 0.82 TNKS (0.40) ENPP2GRIN2BCYP11B1CYP11B2TNKS
Trifluoroacetic Acid SCHEMBL5771806 0.79 POLB (0.47) GRIN2BTNKSPARP1PARP2DPP4
SCHEMBL5771670 0.79 KDM5B (0.42) ENPP2C3AR1
SCHEMBL5775627 0.73 KMT2A (0.49) DPP4DPP9
SCHEMBL5774812 0.73 FFAR1 (0.42)
Trifluoroacetic Acid SCHEMBL5772282 0.71 LMNA (0.39) GRIN2BGRIN1DPP4DPP8DPP9
SCHEMBL5777338 0.71 CCNC (0.41) GRIN2BGRIN1CYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR ENPP2 3244/4885GRIN2B 2007/4885PDE4A 2925/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ENPP2 3032/4885GRIN2B 2374/4885PDE4A 3832/4885

“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.