SCHEMBL5774014

SCHEMBL5774014

CCOP(=O)(Cc1ccccc1NC(=O)CCc1cnoc1-c1ccc(F)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HCAR2 Q8TDS4 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 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
SCHEMBL5771359 0.85 MEN1 (0.40) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL5776838 0.84 MAPT (0.37) KDM4EHCAR2HDAC1HDAC2MAPT
SCHEMBL5770402 0.83 MAPT (0.39) HDAC1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL5771249 0.81 RAB9A (0.51) HCAR2HDAC1HDAC2MAPTLMNA
SCHEMBL5774669 0.81 HPGD (0.37) KDM4EMAPTLMNASMN1; SMN2HPGD
SCHEMBL5774956 0.80 MCHR1 (0.42) KDM4EHDAC1HDAC2MAPTLMNA
SCHEMBL5774005 0.79 LMNA (0.37) KDM4EHDAC1HDAC2MAPTLMNA
SCHEMBL5771726 0.79 LTA4H (0.46) KDM4EMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL5770095 0.79 LTA4H (0.48) MAPTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL5774012 0.79 HCAR2 (0.38) KDM4EHCAR2HDAC1HDAC2MAPT

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 KDM4E 3953/4885HCAR2 313/4885HDAC1 353/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KDM4E 3347/4885HCAR2 372/4885HDAC1 184/4885

“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.