SCHEMBL5773274

SCHEMBL5773274

COc1ccc(-c2oncc2CCC(=O)Nc2ccc(CP(=O)(OC)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.46
MEN1 O00255 9/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CACNA1B Q00975 2/20 0.43
APBA1 Q02410 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 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
SCHEMBL5775518 0.91 MAPT (0.43) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5773537 0.91 MAPT (0.43) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5770235 0.91 MCHR1 (0.40) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5770775 0.90 MAPT (0.41) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL5772907 0.88 TP53 (0.49) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL5772121 0.88 MAPT (0.50) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5774259 0.87 ALDH1A1 (0.42) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL5773492 0.86 MALT1 (0.37) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5775980 0.86 MEN1 (0.37) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL5773844 0.85 HDAC3 (0.40) KMT2AMEN1MAPTSMN1; SMN2KDM4E

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 KMT2A 3907/4885MEN1 2811/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMT2A 2906/4885MEN1 2072/4885MAPT 4763/4885

“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.