SCHEMBL5772121

SCHEMBL5772121

COc1ccc(-c2oncc2CCC(=O)Nc2ccc(CP(=O)(OC)OC)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
HDAC1 Q13547 5/20 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
SCHEMBL5774650 0.92 MAPT (0.48) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5773274 0.88 KMT2A (0.46) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5773492 0.88 MALT1 (0.37) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5775518 0.87 MAPT (0.43) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5770235 0.86 MCHR1 (0.40) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5773537 0.86 MAPT (0.43) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5770775 0.86 MAPT (0.41) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5775980 0.85 MEN1 (0.37) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5774284 0.85 MAPT (0.37) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL5771564 0.85 MAPT (0.37) MAPTKDM4EKMT2ANPC1RAB9A

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 MAPT 4701/4885KDM4E 3953/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885KDM4E 3347/4885KMT2A 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.