SCHEMBL5773472

SCHEMBL5773472

O=C(O)CCc1cnoc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.50
FFAR1 O14842 8/20 0.50
CYP2C9 P11712 2/20 0.42
CACNA1C Q13936 1/20 0.42
PTGER4 P35408 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PPARD Q03181 3/20 0.40

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
SCHEMBL5770267 0.87 CCNC (0.42) FFAR4FFAR1PTGER4IP6K1IP6K3
SCHEMBL5774001 0.83 FFAR1 (0.49) FFAR4FFAR1HDAC1HDAC2HDAC8
SCHEMBL5774360 0.83 LMNA (0.57) FFAR4FFAR1PPARDLMNAATM
SCHEMBL5773877 0.82 DHODH (0.38) FFAR4FFAR1CYP2C9PTGER4IP6K1
SCHEMBL5773998 0.81 FFAR1 (0.46) FFAR4FFAR1CYP2C9PPARDLMNA
SCHEMBL5775742 0.81 DHODH (0.41) FFAR4FFAR1CYP2C9PTGER4IP6K1
SCHEMBL5771411 0.81 TP53 (0.54) CYP2C9LMNAATM
SCHEMBL5774948 0.80 FFAR1 (0.51) FFAR1PTGER4LMNA
SCHEMBL5774472 0.80 RXRA (0.50) FFAR1PTGER4LMNA
SCHEMBL5776861 0.79 PPARA (0.48) FFAR4FFAR1CYP2C9LMNAATM

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 FFAR4 143/4885FFAR1 178/4885CYP2C9 30/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885FFAR1 90/4885CYP2C9 45/4885

“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.