SCHEMBL5776837

SCHEMBL5776837

CCC(CC)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)c(C)c1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.35
CNR2 P34972 2/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
AKT1 P31749 1/20 0.32

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
SCHEMBL5771355 0.88 MAPT (0.39) MAPTTP53KDM4ECNR2LMNA
SCHEMBL5770399 0.86 MAPT (0.40) MAPTTP53CNR2LMNASMN1; SMN2
SCHEMBL5774012 0.84 HCAR2 (0.38) MAPTKDM4ECNR2TSHRLMNA
SCHEMBL5775864 0.80 SMN1; SMN2 (0.47) MAPTTP53CNR2LMNASMN1; SMN2
SCHEMBL5773239 0.80 MAPT (0.37) MAPTTP53CNR2TSHRLMNA
SCHEMBL5776838 0.80 MAPT (0.37) MAPTTP53KDM4ETSHRLMNA
SCHEMBL5772289 0.79 MEN1 (0.38) MAPTTP53CNR2LMNASMN1; SMN2
SCHEMBL5777446 0.79 MEN1 (0.41) MAPTTP53TSHRLMNASMN1; SMN2
SCHEMBL5777020 0.79 MAPT (0.42) MAPTTP53CNR2LMNASMN1; SMN2
SCHEMBL5770233 0.78 SMN1; SMN2 (0.40) MAPTTP53KDM4ECNR2LMNA

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 4701/4885TP53 4371/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885TP53 4446/4885KDM4E 3347/4885

“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.