SCHEMBL5776838

SCHEMBL5776838

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)c(C)c1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC1 Q13547 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 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
SCHEMBL5771359 0.87 MEN1 (0.40) MAPTLMNASMN1; SMN2TSHRMEN1
SCHEMBL5770402 0.86 MAPT (0.39) MAPTHDAC1LMNASMN1; SMN2TSHR
SCHEMBL5774014 0.84 KDM4E (0.44) MAPTKDM4EHCAR2HDAC1LMNA
SCHEMBL5774956 0.81 MCHR1 (0.42) MAPTKDM4EHDAC1LMNASMN1; SMN2
SCHEMBL5773241 0.80 BTK (0.39) MAPTKDM4EHDAC1LMNASMN1; SMN2
SCHEMBL5776837 0.80 MAPT (0.37) MAPTKDM4ELMNASMN1; SMN2TSHR
SCHEMBL5772294 0.79 ENPP2 (0.40) MAPTHDAC1LMNAMEN1KMT2A
SCHEMBL5777451 0.78 MEN1 (0.41) MAPTPPARAKDM4EHDAC1LMNA
SCHEMBL5777014 0.78 MEN1 (0.46) MAPTKDM4EHDAC1LMNASMN1; SMN2
SCHEMBL5771726 0.78 LTA4H (0.46) MAPTKDM4ELMNASMN1; SMN2MEN1

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 4701/4885PPARA 602/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885PPARA 247/4885KDM4E 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.