SCHEMBL5776995

SCHEMBL5776995

CCC(CC)(c1ccc(NC(=O)CCc2c(C)noc2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.41
TAS2R8 Q9NYW2 2/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL5774392 0.88 TAS2R8 (0.43) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5771724 0.83 MAPT (0.41) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5776990 0.79 MAPT (0.46) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5771116 0.79 MAPT (0.59) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5774395 0.79 MAPT (0.43) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5773088 0.78 MAPT (0.45) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5776417 0.77 NPC1 (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5280576 0.74 TERT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5777446 0.74 MEN1 (0.41) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL5771355 0.74 MAPT (0.39) MAPTLMNAMEN1KMT2AKDM4E

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 4701/4885MAPK1 1148/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885MAPK1 485/4885ALDH1A1 682/4885

“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.