SCHEMBL5771067

SCHEMBL5771067

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)c1ccncc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
MAPK14 Q16539 8/20 0.33
MAPK10 P53779 1/20 0.33
SLC22A12 Q96S37 1/20 0.31
GSK3B P49841 1/20 0.30
LTA4H P09960 1/20 0.30
RPS6KA3 P51812 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL5771105 0.92 GSK3B (0.39) HDAC8SLC22A12GSK3B
SCHEMBL5771831 0.85 HDAC8 (0.34) HDAC8MAPK14GSK3BCXCR2
SCHEMBL5773577 0.85 NAMPT (0.35) HDAC8MAPK14GSK3B
SCHEMBL5770760 0.82 MAPK1 (0.35) HDAC8
SCHEMBL5772670 0.82 POLQ (0.40) HDAC8GSK3B
SCHEMBL5775478 0.81 HTT (0.38) HDAC8
SCHEMBL5777440 0.79 HDAC8 (0.35) HDAC8
SCHEMBL5771361 0.78 NAMPT (0.42)
SCHEMBL5773324 0.78 CYP3A4 (0.41) HDAC8
SCHEMBL5774897 0.77 MPO (0.35) HDAC8

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 HDAC8 639/4885MAPK14 1376/4885MAPK10 2760/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC8 569/4885MAPK14 1203/4885MAPK10 3001/4885

“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.