SCHEMBL5772119

SCHEMBL5772119

COc1ccc(-c2oncc2CCC(=O)Nc2ccc(C(C)(C)P(=O)(O)O)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.42
CASP1 P29466 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL5774644 0.90 MAPT (0.45) MAPTSMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL5773273 0.88 MAPT (0.51) MAPTSMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL5773488 0.86 MAPT (0.38) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL5775516 0.85 MAPT (0.41) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5770233 0.84 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL5772904 0.84 TP53 (0.48) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL5773534 0.84 MAPT (0.42) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5770770 0.84 MLYCD (0.41) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5775978 0.84 MAPT (0.41) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5774281 0.83 CNR2 (0.39) MAPTSMN1; SMN2KMT2ANPC1RAB9A

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 4701/4885SMN1; SMN2 3383/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885SMN1; SMN2 2449/4885KDM4E 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.