SCHEMBL5774956

SCHEMBL5774956

CCOP(=O)(CCc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 8/20 0.39
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
CETP P11597 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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 0.92 MEN1 (0.40) MCHR1MEN1KMT2ALTA4HEPHX2
SCHEMBL5770095 0.86 LTA4H (0.48) MCHR1MEN1KMT2ALTA4HEPHX2
SCHEMBL5770235 0.84 MCHR1 (0.40) MCHR1MEN1KMT2AMAPTMAPK1
SCHEMBL5774669 0.84 HPGD (0.37) EPHX2MAPTLMNASMN1; SMN2TSHR
SCHEMBL5770402 0.83 MAPT (0.39) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL5772294 0.83 ENPP2 (0.40) MCHR1MEN1KMT2ALTA4HEPHX2
SCHEMBL5770745 0.83 NR1I2 (0.39) MCHR1MEN1KMT2ALTA4HEPHX2
SCHEMBL5774020 0.83 MAPT (0.42) MCHR1MEN1KMT2AMAPTLMNA
SCHEMBL5777014 0.83 MEN1 (0.46) MCHR1MEN1KMT2ALTA4HEPHX2
SCHEMBL5777451 0.83 MEN1 (0.41) MEN1KMT2ALTA4HEPHX2MAPT

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 MCHR1 2026/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MCHR1 2036/4885MEN1 2072/4885KMT2A 2906/4885

“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.