SCHEMBL5775799

SCHEMBL5775799

CC(C)N(CCN(CCCc1cnoc1-c1ccc(F)cc1)C(=O)C(F)(F)F)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
PLA2G7 Q13093 1/20 0.32
PPARA Q07869 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
SCHEMBL5777440 0.89 HDAC8 (0.35) HDAC8PLA2G7PPARA
SCHEMBL5774897 0.85 MPO (0.35) HDAC8PLA2G7
SCHEMBL5777281 0.83 HDAC8 (0.34) HDAC8
SCHEMBL5774087 0.82 CNR1 (0.36) HDAC8PPARA
SCHEMBL5773577 0.82 NAMPT (0.35) HDAC8
SCHEMBL5775533 0.81 HDAC8 (0.33) HDAC8PLA2G7PPARA
SCHEMBL5773350 0.81 TSHR (0.40) PLA2G7
SCHEMBL5773778 0.80 PLA2G7 (0.36) HDAC8PLA2G7
SCHEMBL5774849 0.80 HDAC4 (0.33) HDAC8
SCHEMBL5771831 0.80 HDAC8 (0.34) HDAC8PLA2G7

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 639/4885PLA2G7 2423/4885PPARA 602/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC8 569/4885PLA2G7 1986/4885PPARA 247/4885

“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.