SCHEMBL5774052

SCHEMBL5774052

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NCCCN(CCO)CCOC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.40
MAPT P10636 2/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 3/20 0.35
FAAH O00519 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
TP53 P04637 2/20 0.33
HDAC2 Q92769 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
GAA P10253 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
SCHEMBL5777275 0.93 LMNA (0.33) TRPV1MAPTHDAC1HDAC6HPGD
Trifluoroacetic Acid SCHEMBL5774050 0.90 TRPV1 (0.43) TRPV1MAPTHDAC1HDAC6FAAH
Trifluoroacetic Acid SCHEMBL5777271 0.82 GAA (0.37) TRPV1MAPTHDAC6MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5772750 0.77 MAPT (0.40) TRPV1MAPTFAAHHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5776657 0.76 MAPT (0.42) TRPV1MAPTHDAC1HDAC6TP53
SCHEMBL5774056 0.76 TRPV1 (0.38) TRPV1HDAC1FAAHSPHK2HDAC2
Trifluoroacetic Acid SCHEMBL5774893 0.74 GAA (0.47) MAPTHDAC6TP53HDAC2MEN1
Trifluoroacetic Acid SCHEMBL5775717 0.73 GSK3B (0.44) TRPV1FAAHTP53MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5775554 0.73 HDAC4 (0.43) TRPV1MAPTHDAC1HDAC6FAAH
Trifluoroacetic Acid SCHEMBL5772663 0.71 IDE (0.49) HDAC6SMN1; SMN2

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 TRPV1 2864/4885MAPT 4701/4885HDAC1 353/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TRPV1 3621/4885MAPT 4763/4885HDAC1 184/4885

“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.