SCHEMBL5774012

SCHEMBL5774012

CCC(CC)(c1ccccc1NC(=O)CCc1cnoc1-c1ccc(F)cc1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5776837 0.84 MAPT (0.37) KDM4EGAAATMCNR1CNR2
SCHEMBL5771355 0.84 MAPT (0.39) KDM4EATMCNR1CNR2LMNA
SCHEMBL5770399 0.82 MAPT (0.40) GAAPOLBCNR1CNR2LMNA
SCHEMBL5771249 0.81 RAB9A (0.51) HCAR2HDAC1HDAC2GAAPOLB
SCHEMBL5774014 0.79 KDM4E (0.44) HCAR2KDM4EHDAC1HDAC2GAA
SCHEMBL5771724 0.78 MAPT (0.41) HDAC1HDAC2GAAPOLBCNR2
SCHEMBL5772289 0.77 MEN1 (0.38) HDAC1HDAC2POLBCNR1CNR2
SCHEMBL5775864 0.76 SMN1; SMN2 (0.47) CNR2LMNAALDH1A1MAPTKMT2A
SCHEMBL5777386 0.76 LMNA (0.47) HCAR2KDM4EGAAPOLBCNR2
SCHEMBL5770233 0.76 SMN1; SMN2 (0.40) KDM4ECNR1CNR2LMNAALDH1A1

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