SCHEMBL5775809

SCHEMBL5775809

OCc1conc1-c1ccc(F)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
PTGS2 P35354 2/20 0.33
GABRA5 P31644 7/20 0.33
NOTUM Q6P988 2/20 0.32
IDO1 P14902 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL5776250 0.86 CA2 (0.35) PARP1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5775299 0.82 ADORA2A (0.38) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL5772554 0.81 FFAR4 (0.46) PARP1IDO1
SCHEMBL5774132 0.79 KMO (0.36) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL1778524 0.78 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5771214 0.78 FFAR4 (0.39) MAPK1GABRA5IDO1
SCHEMBL5776936 0.74 AHR (0.41) PTGS2GABRA5NOTUMIDO1NPSR1
SCHEMBL24013544 0.73 MAPK13 (0.37) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5769963 0.71 MEN1 (0.41) IDO1NPSR1
SCHEMBL5775916 0.71 NOTUM (0.46) MAPK1MAPK14MAPK13MAPK12MAPK11

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 PARP1 4263/4885MAPK1 1148/4885MAP2K4 3922/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PARP1 3102/4885MAPK1 485/4885MAP2K4 4101/4885

“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.