SCHEMBL5777094

SCHEMBL5777094

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(OC(F)(F)F)cc2)cc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 2/20 0.40
LTA4H P09960 1/20 0.40
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.37
MCHR1 Q99705 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5775867 0.90 TP53 (0.46) SMN1; SMN2EPHX2LTA4HDHODHLMNA
SCHEMBL5771359 0.89 MEN1 (0.40) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5777451 0.87 MEN1 (0.41) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5777014 0.87 MEN1 (0.46) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5771726 0.87 LTA4H (0.46) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5773001 0.85 LTA4H (0.38) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5773241 0.85 BTK (0.39) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5776175 0.85 LTA4H (0.38) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5773486 0.84 MAPT (0.41) SMN1; SMN2KMT2AEPHX2MEN1LTA4H
SCHEMBL5776211 0.84 LTA4H (0.37) SMN1; SMN2KMT2AEPHX2MEN1LTA4H

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 SMN1; SMN2 3383/4885KMT2A 3907/4885EPHX2 1846/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SMN1; SMN2 2449/4885KMT2A 2906/4885EPHX2 2389/4885

“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.