SCHEMBL5771724

SCHEMBL5771724

CCC(CC)(c1ccc(NC(=O)CCc2cnoc2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 2/20 0.39
CNR2 P34972 1/20 0.38
MLYCD O95822 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL5775864 0.91 SMN1; SMN2 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5771355 0.91 MAPT (0.39) MAPTMEN1KMT2ALMNANPC1
SCHEMBL5777020 0.91 MAPT (0.42) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5777446 0.91 MEN1 (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5776417 0.90 NPC1 (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5772996 0.89 MAPT (0.36) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5770770 0.88 MLYCD (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5776170 0.88 PTPN1 (0.36) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5771812 0.88 MAPT (0.38) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5776209 0.87 MAPT (0.35) MAPTALDH1A1MAPK1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US claimed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US claimed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP claimed
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 4701/4885ALDH1A1 1045/4885MAPK1 1148/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885ALDH1A1 682/4885MAPK1 485/4885

“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.